1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-hydroxy-3-methoxy-phenyl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(m-tolyl)phenyl]-1-vanillyl-piperidin-1-ium-4-carboxamide Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CC(=C(C=C4)O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C27H30N2O3/c1-19-4-3-5-23(16-19)21-7-9-24(10-8-21)28-27(31)22-12-14-29(15-13-22)18-20-6-11-25(30)26(17-20)32-2/h3-11,16-17,22,30H,12-15,18H2,1-2H3,(H,28,31)/p+1