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

Systemtic Name: 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-(veratrylamino)ethyl]pyridin-1-ium-3-carboxamide Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4/c1-23-14-6-5-12(8-15(14)24-2)9-19-16(21)11-20-7-3-4-13(10-20)17(18)22/h3-8,10H,9,11H2,1-2H3,(H2-,18,19,21,22)/p+1