1-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-keto-2-(3,4,5-trimethoxyanilino)ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C17H20ClN3O5 MolecularWeight: 381.8108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-]

InChI

InChI=1S/C17H19N3O5.ClH/c1-23-13-7-12(8-14(24-2)16(13)25-3)19-15(21)10-20-6-4-5-11(9-20)17(18)22;/h4-9H,10H2,1-3H3,(H2-,18,19,21,22);1H