N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Traditional Name: N-homoveratryl-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C[N+]2=CC=CC(=C2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C[N+]2=CC=CC(=C2)O)OC

InChI

InChI=1S/C17H20N2O4/c1-22-15-6-5-13(10-16(15)23-2)7-8-18-17(21)12-19-9-3-4-14(20)11-19/h3-6,9-11H,7-8,12H2,1-2H3,(H-,18,20,21)/p+1