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

Systemtic Name: 1-[(3-ethanoylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-acetylphenyl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-acetylbenzyl)-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C28H31N2O2+ MolecularWeight: 427.55794

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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=CC(=C4)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O2/c1-20-5-3-8-26(17-20)23-9-11-27(12-10-23)29-28(32)24-13-15-30(16-14-24)19-22-6-4-7-25(18-22)21(2)31/h3-12,17-18,24H,13-16,19H2,1-2H3,(H,29,32)/p+1