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

Systemtic Name: N-[(4-methylphenyl)methyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-(4-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O2/c1-22-10-12-23(13-11-22)19-29-28(31)26-14-16-30(17-15-26)20-25-8-5-9-27(18-25)32-21-24-6-3-2-4-7-24/h2-13,18,26H,14-17,19-21H2,1H3,(H,29,31)/p+1