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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-homoveratryl-piperidin-1-ium-4-carboxamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3/c1-27-21-9-8-18(16-22(21)28-2)10-13-24-23(26)20-11-14-25(15-12-20)17-19-6-4-3-5-7-19/h3-9,16,20H,10-15,17H2,1-2H3,(H,24,26)/p+1