potassium (3S)-3-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-4-phenyl-butanoate

Systemtic Name: potassium (3S)-3-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-4-phenyl-butanoate Openeye Name: potassium (3S)-3-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-4-phenyl-butanoate CAS Name: potassium (3S)-3-[[4-(dimethylamino)-4-phenylcyclohexyl]amino]-4-phenylbutanoate IUPAC Name: potassium (3S)-3-[[4-(dimethylamino)-4-phenylcyclohexyl]amino]-4-phenylbutanoate Traditional Name: potassium (3S)-3-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-4-phenyl-butyrate Formula: C24H31KN2O2 MolecularWeight: 418.61344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCC(CC1)NC(CC2=CC=CC=C2)CC(=O)[O-])C3=CC=CC=C3.[K+]

Isomeric SMILES

CN(C)C1(CCC(CC1)N[C@@H](CC2=CC=CC=C2)CC(=O)[O-])C3=CC=CC=C3.[K+]

InChI

InChI=1S/C24H32N2O2.K/c1-26(2)24(20-11-7-4-8-12-20)15-13-21(14-16-24)25-22(18-23(27)28)17-19-9-5-3-6-10-19;/h3-12,21-22,25H,13-18H2,1-2H3,(H,27,28);/q;+1/p-1/t21?,22-,24?;/m0./s1