1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2,5-dimethoxyanilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C16H18N3O4+ MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-22-12-5-6-14(23-2)13(8-12)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