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

Systemtic Name: 1-[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(3,5-dimethoxyanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(3,5-dimethoxyanilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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