N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-ethanoylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-ethanoylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C[N+]2=CC=CC(=C2)C(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C[N+]2=CC=CC(=C2)C(=O)C)OCC

InChI

InChI=1S/C21H26N2O4/c1-4-26-19-9-8-17(13-20(19)27-5-2)10-11-22-21(25)15-23-12-6-7-18(14-23)16(3)24/h6-9,12-14H,4-5,10-11,15H2,1-3H3/p+1