Product OPENEYE NAME: benzyl-[2-(benzylammonio)ethyl]ammonium dichloride
CAS Name: (phenylmethyl)-[2-[(phenylmethyl)ammonio]ethyl]ammonium dichloride
IUPAC NAME: benzyl-[2-(benzylazaniumyl)ethyl]azanium dichloride
SYSTEMATIC NAME: (phenylmethyl)-[2-[(phenylmethyl)azaniumyl]ethyl]azanium dichloride
MOLECULAR FORMULA: C16H22Cl2N2
MOLECULAR WEIGHT: 313.26528
SMILES: C1=CC=C(C=C1)C[NH2+]CC[NH2+]CC2=CC=CC=C2.[Cl-].[Cl-]
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Product OPENEYE NAME: 4-phenoxypiperidine
CAS Name: 4-phenoxypiperidine
IUPAC NAME: 4-phenoxypiperidine
SYSTEMATIC NAME: 4-phenoxypiperidine
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: C1CNCCC1OC2=CC=CC=C2
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Product OPENEYE NAME: (R)-(6-ethoxy-4-quinolyl)-[(2S,5R)-5-ethyl-2,5-dimethyl-quinuclidin-2-yl]methanol hydrochloride
CAS Name: (R)-(6-ethoxy-4-quinolinyl)-[(2S,5R)-5-ethyl-2,5-dimethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol hydrochloride
IUPAC NAME: (R)-(6-ethoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-2,5-dimethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol hydrochloride
SYSTEMATIC NAME: (R)-(6-ethoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-2,5-dimethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol hydrochloride
MOLECULAR FORMULA: C23H33ClN2O2
MOLECULAR WEIGHT: 404.97332
SMILES: CC[C@]1(CN2CCC1C[C@@]2(C)[C@@H](C3=C4C=C(C=CC4=NC=C3)OCC)O)C.Cl
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Product OPENEYE NAME: (R)-(6-ethoxy-4-quinolyl)-[(2S,5R)-5-ethyl-2,5-dimethyl-quinuclidin-2-yl]methanol
CAS Name: (R)-(6-ethoxy-4-quinolinyl)-[(2S,5R)-5-ethyl-2,5-dimethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
IUPAC NAME: (R)-(6-ethoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-2,5-dimethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
SYSTEMATIC NAME: (R)-(6-ethoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-2,5-dimethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
MOLECULAR FORMULA: C23H32N2O2
MOLECULAR WEIGHT: 368.51238
SMILES: CC[C@]1(CN2CCC1C[C@@]2(C)[C@@H](C3=C4C=C(C=CC4=NC=C3)OCC)O)C
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Product OPENEYE NAME: (2R,3R,4S,5R)-2-[6-(hydroxyamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CAS Name: (2R,3R,4S,5R)-2-[6-(hydroxyamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC NAME: (2R,3R,4S,5R)-2-[6-(hydroxyamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(oxidanylamino)purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C10H13N5O5
MOLECULAR WEIGHT: 283.24072
SMILES: C1=NC2=C(C(=N1)NO)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
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Product OPENEYE NAME: N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
CAS Name: N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
IUPAC NAME: N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
SYSTEMATIC NAME: N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: CN(C)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: N-[(5-nitro-1H-indol-3-yl)methyl]-N-propyl-propan-1-amine
CAS Name: N-[(5-nitro-1H-indol-3-yl)methyl]-N-propyl-1-propanamine
IUPAC NAME: N-[(5-nitro-1H-indol-3-yl)methyl]-N-propylpropan-1-amine
SYSTEMATIC NAME: N-[(5-nitro-1H-indol-3-yl)methyl]-N-propyl-propan-1-amine
MOLECULAR FORMULA: C15H21N3O2
MOLECULAR WEIGHT: 275.34614
SMILES: CCCN(CCC)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: N-butyl-N-[(5-nitro-1H-indol-3-yl)methyl]butan-1-amine
CAS Name: N-butyl-N-[(5-nitro-1H-indol-3-yl)methyl]-1-butanamine
IUPAC NAME: N-butyl-N-[(5-nitro-1H-indol-3-yl)methyl]butan-1-amine
SYSTEMATIC NAME: N-butyl-N-[(5-nitro-1H-indol-3-yl)methyl]butan-1-amine
MOLECULAR FORMULA: C17H25N3O2
MOLECULAR WEIGHT: 303.3993
SMILES: CCCCN(CCCC)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 5-nitro-3-(1-piperidylmethyl)-1H-indole
CAS Name: 5-nitro-3-(1-piperidinylmethyl)-1H-indole
IUPAC NAME: 5-nitro-3-(piperidin-1-ylmethyl)-1H-indole
SYSTEMATIC NAME: 5-nitro-3-(piperidin-1-ylmethyl)-1H-indole
MOLECULAR FORMULA: C14H17N3O2
MOLECULAR WEIGHT: 259.30368
SMILES: C1CCN(CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 4-[(5-nitro-1H-indol-3-yl)methyl]morpholine
CAS Name: 4-[(5-nitro-1H-indol-3-yl)methyl]morpholine
IUPAC NAME: 4-[(5-nitro-1H-indol-3-yl)methyl]morpholine
SYSTEMATIC NAME: 4-[(5-nitro-1H-indol-3-yl)methyl]morpholine
MOLECULAR FORMULA: C13H15N3O3
MOLECULAR WEIGHT: 261.2765
SMILES: C1COCCN1CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1H-indole
CAS Name: 3-[(4-methyl-1-piperazinyl)methyl]-5-nitro-1H-indole
IUPAC NAME: 3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1H-indole
SYSTEMATIC NAME: 3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1H-indole
MOLECULAR FORMULA: C14H18N4O2
MOLECULAR WEIGHT: 274.31832
SMILES: CN1CCN(CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[(4-benzylpiperazin-1-yl)methyl]-5-nitro-1H-indole
CAS Name: 5-nitro-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-indole
IUPAC NAME: 3-[(4-benzylpiperazin-1-yl)methyl]-5-nitro-1H-indole
SYSTEMATIC NAME: 5-nitro-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-indole
MOLECULAR FORMULA: C20H22N4O2
MOLECULAR WEIGHT: 350.41428
SMILES: C1CN(CCN1CC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride
CAS Name: 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride
IUPAC NAME: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride
SYSTEMATIC NAME: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride
MOLECULAR FORMULA: C23H26ClN3O4
MOLECULAR WEIGHT: 443.92324
SMILES: CCOC(=O)C1(CC[NH+](CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenyl-piperidine-4-carboxylate
CAS Name: 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenylpiperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenyl-piperidine-4-carboxylate
MOLECULAR FORMULA: C23H25N3O4
MOLECULAR WEIGHT: 407.4623
SMILES: CCOC(=O)C1(CCN(CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
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Product OPENEYE NAME: 3-[(dimethylamino)methyl]-1H-indol-5-amine
CAS Name: 3-[(dimethylamino)methyl]-1H-indol-5-amine
IUPAC NAME: 3-[(dimethylamino)methyl]-1H-indol-5-amine
SYSTEMATIC NAME: 3-[(dimethylamino)methyl]-1H-indol-5-amine
MOLECULAR FORMULA: C11H15N3
MOLECULAR WEIGHT: 189.2569
SMILES: CN(C)CC1=CNC2=C1C=C(C=C2)N
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Product OPENEYE NAME: 3-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine
CAS Name: 3-(1-pyrrolidinylmethyl)-1H-indol-5-amine
IUPAC NAME: 3-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine
SYSTEMATIC NAME: 3-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine
MOLECULAR FORMULA: C13H17N3
MOLECULAR WEIGHT: 215.29418
SMILES: C1CCN(C1)CC2=CNC3=C2C=C(C=C3)N
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Product OPENEYE NAME: 3-(1-piperidylmethyl)-1H-indol-5-amine
CAS Name: 3-(1-piperidinylmethyl)-1H-indol-5-amine
IUPAC NAME: 3-(piperidin-1-ylmethyl)-1H-indol-5-amine
SYSTEMATIC NAME: 3-(piperidin-1-ylmethyl)-1H-indol-5-amine
MOLECULAR FORMULA: C14H19N3
MOLECULAR WEIGHT: 229.32076
SMILES: C1CCN(CC1)CC2=CNC3=C2C=C(C=C3)N
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Product OPENEYE NAME: 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine
CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-indol-5-amine
IUPAC NAME: 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine
SYSTEMATIC NAME: 3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-indol-5-amine
MOLECULAR FORMULA: C20H24N4
MOLECULAR WEIGHT: 320.43136
SMILES: C1CN(CCN1CC2=CC=CC=C2)CC3=CNC4=C3C=C(C=C4)N
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Product OPENEYE NAME: (17S)-4-chloro-17-hydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (17S)-4-chloro-17-hydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (17S)-4-chloro-17-hydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (17S)-4-chloranyl-13,17-dimethyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H27ClO2
MOLECULAR WEIGHT: 322.86948
SMILES: C[C@@]1(CCC2C1(CCC3C2CCC4=C(C(=O)CCC34)Cl)C)O
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Product OPENEYE NAME: (2S,5R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol
CAS Name: (2S,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
IUPAC NAME: (2S,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
SYSTEMATIC NAME: (2S,5R)-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol
MOLECULAR FORMULA: C6H13NO5
MOLECULAR WEIGHT: 179.17112
SMILES: C(C1[C@@H](C(C([C@H](O1)O)N)O)O)O
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Product OPENEYE NAME: 1-(3-hydroxy-2-furyl)ethanone
CAS Name: 1-(3-hydroxy-2-furanyl)ethanone
IUPAC NAME: 1-(3-hydroxyfuran-2-yl)ethanone
SYSTEMATIC NAME: 1-(3-oxidanylfuran-2-yl)ethanone
MOLECULAR FORMULA: C6H6O3
MOLECULAR WEIGHT: 126.11004
SMILES: CC(=O)C1=C(C=CO1)O
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Product OPENEYE NAME: cyclopentyl N-phenylcarbamate
CAS Name: N-phenylcarbamic acid cyclopentyl ester
IUPAC NAME: cyclopentyl N-phenylcarbamate
SYSTEMATIC NAME: cyclopentyl N-phenylcarbamate
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: C1CCC(C1)OC(=O)NC2=CC=CC=C2
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