1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C16H18N3O4+ MolecularWeight: 316.33182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-22-13-6-5-12(8-14(13)23-2)18-15(20)10-19-7-3-4-11(9-19)16(17)21/h3-9H,10H2,1-2H3,(H2-,17,18,20,21)/p+1