1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-1-piperonyl-piperidin-1-ium-4-carboxamide Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C24H30N2O5/c1-28-20-5-3-17(13-22(20)29-2)7-10-25-24(27)19-8-11-26(12-9-19)15-18-4-6-21-23(14-18)31-16-30-21/h3-6,13-14,19H,7-12,15-16H2,1-2H3,(H,25,27)/p+1