N-[2-(1H-benzimidazol-3-ium-2-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: N-[2-(1H-benzimidazol-3-ium-2-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: N-[2-(1H-benzimidazol-3-ium-2-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: N-[2-(1H-benzimidazol-3-ium-2-yl)ethyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: N-[2-(1H-benzimidazol-3-ium-2-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: N-[2-(1H-benzimidazol-3-ium-2-yl)ethyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCCC2=[NH+]C3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)NCCC2=[NH+]C3=CC=CC=C3N2)OC

InChI

InChI=1S/C20H21N3O3/c1-25-17-9-7-14(13-18(17)26-2)8-10-20(24)21-12-11-19-22-15-5-3-4-6-16(15)23-19/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)/p+1