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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-thienylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-1-(2-thenyl)piperidin-1-ium-4-carboxamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CC=CS3)OC

InChI

InChI=1S/C21H28N2O3S/c1-25-19-6-5-16(14-20(19)26-2)7-10-22-21(24)17-8-11-23(12-9-17)15-18-4-3-13-27-18/h3-6,13-14,17H,7-12,15H2,1-2H3,(H,22,24)/p+1