N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-homoveratryl-piperidin-1-ium-4-carboxamide Formula: C30H37N2O4+ MolecularWeight: 489.62578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C30H36N2O4/c1-34-28-12-11-23(20-29(28)35-2)13-16-31-30(33)26-14-17-32(18-15-26)21-25-9-6-10-27(19-25)36-22-24-7-4-3-5-8-24/h3-12,19-20,26H,13-18,21-22H2,1-2H3,(H,31,33)/p+1