methyl 2-oxidanylidene-1-[2-(2-phenylindolizin-3-yl)ethyl]-1H-pyridin-1-ium-3-carboxylate chloride

Systemtic Name: methyl 2-oxidanylidene-1-[2-(2-phenylindolizin-3-yl)ethyl]-1H-pyridin-1-ium-3-carboxylate chloride Openeye Name: methyl 2-oxo-1-[2-(2-phenylindolizin-3-yl)ethyl]-1H-pyridin-1-ium-3-carboxylate chloride CAS Name: 2-oxo-1-[2-(2-phenyl-3-indolizinyl)ethyl]-1H-pyridin-1-ium-3-carboxylic acid methyl ester chloride IUPAC Name: methyl 2-oxo-1-[2-(2-phenylindolizin-3-yl)ethyl]-1H-pyridin-1-ium-3-carboxylate chloride Traditional Name: 2-keto-1-[2-(2-phenylindolizin-3-yl)ethyl]-1H-pyridin-1-ium-3-carboxylic acid methyl ester chloride Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C[NH+](C1=O)CCC2=C(C=C3N2C=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

COC(=O)C1=CC=C[NH+](C1=O)CCC2=C(C=C3N2C=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H20N2O3.ClH/c1-28-23(27)19-11-7-13-24(22(19)26)15-12-21-20(17-8-3-2-4-9-17)16-18-10-5-6-14-25(18)21;/h2-11,13-14,16H,12,15H2,1H3;1H