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

Systemtic Name: 1-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2,4-dimethoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2,4-dimethoxyphenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C16H17N2O4+ MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-21-12-5-6-13(15(8-12)22-2)14(19)10-18-7-3-4-11(9-18)16(17)20/h3-9H,10H2,1-2H3,(H-,17,20)/p+1