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

Systemtic Name: methyl 1-[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl]pyridin-1-ium-4-carboxylate chloride Openeye Name: methyl 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]pyridin-1-ium-4-carboxylate chloride CAS Name: 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-4-pyridin-1-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl 1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]pyridin-1-ium-4-carboxylate chloride Traditional Name: 1-[2-keto-2-(3,4,5-trimethoxyphenyl)ethyl]pyridin-1-ium-4-carboxylic acid methyl ester chloride Formula: C18H20ClNO6 MolecularWeight: 381.8075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20NO6.ClH/c1-22-15-9-13(10-16(23-2)17(15)24-3)14(20)11-19-7-5-12(6-8-19)18(21)25-4;/h5-10H,11H2,1-4H3;1H/q+1;/p-1