(3S)-1-(2,2-dimethyl-3-oxidanyl-propyl)-N-[3-(3-methylphenyl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(2,2-dimethyl-3-oxidanyl-propyl)-N-[3-(3-methylphenyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(3-hydroxy-2,2-dimethyl-propyl)-N-[3-(m-tolyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(3-hydroxy-2,2-dimethylpropyl)-N-[3-(3-methylphenyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(3-hydroxy-2,2-dimethylpropyl)-N-[3-(3-methylphenyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-hydroxy-2,2-dimethyl-propyl)-N-[3-(m-tolyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCC[NH+](C3)CC(C)(C)CO

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)[C@H]3CCC[NH+](C3)CC(C)(C)CO

InChI

InChI=1S/C24H32N2O2/c1-18-7-4-8-19(13-18)20-9-5-11-22(14-20)25-23(28)21-10-6-12-26(15-21)16-24(2,3)17-27/h4-5,7-9,11,13-14,21,27H,6,10,12,15-17H2,1-3H3,(H,25,28)/p+1/t21-/m0/s1