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

Systemtic Name: N-[(4-methylphenyl)methyl]-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-phenoxyphenyl)methyl]-N-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(4-methylbenzyl)-1-(3-phenoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-21-10-12-22(13-11-21)19-28-27(30)24-14-16-29(17-15-24)20-23-6-5-9-26(18-23)31-25-7-3-2-4-8-25/h2-13,18,24H,14-17,19-20H2,1H3,(H,28,30)/p+1