methyl 1-[2-[2-(4-methoxyphenyl)-8-methyl-indolizin-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate chloride

Systemtic Name: methyl 1-[2-[2-(4-methoxyphenyl)-8-methyl-indolizin-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate chloride Openeye Name: methyl 1-[2-[2-(4-methoxyphenyl)-8-methyl-indolizin-3-yl]-2-oxo-ethyl]pyridin-1-ium-3-carboxylate chloride CAS Name: 1-[2-[2-(4-methoxyphenyl)-8-methyl-3-indolizinyl]-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl 1-[2-[2-(4-methoxyphenyl)-8-methylindolizin-3-yl]-2-oxoethyl]pyridin-1-ium-3-carboxylate chloride Traditional Name: 1-[2-keto-2-[2-(4-methoxyphenyl)-8-methyl-indolizin-3-yl]ethyl]pyridin-1-ium-3-carboxylic acid methyl ester chloride Formula: C25H23ClN2O4 MolecularWeight: 450.91412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=CC(=C2C(=O)C[N+]3=CC=CC(=C3)C(=O)OC)C4=CC=C(C=C4)OC.[Cl-]

Isomeric SMILES

CC1=CC=CN2C1=CC(=C2C(=O)C[N+]3=CC=CC(=C3)C(=O)OC)C4=CC=C(C=C4)OC.[Cl-]

InChI

InChI=1S/C25H23N2O4.ClH/c1-17-6-4-13-27-22(17)14-21(18-8-10-20(30-2)11-9-18)24(27)23(28)16-26-12-5-7-19(15-26)25(29)31-3;/h4-15H,16H2,1-3H3;1H/q+1;/p-1