methyl 2-(8-methyl-2-phenyl-indolizin-3-yl)-1-(2-oxidanylideneethyl)pyridin-1-ium-3-carboxylate chloride

Systemtic Name: methyl 2-(8-methyl-2-phenyl-indolizin-3-yl)-1-(2-oxidanylideneethyl)pyridin-1-ium-3-carboxylate chloride Openeye Name: methyl 2-(8-methyl-2-phenyl-indolizin-3-yl)-1-(2-oxoethyl)pyridin-1-ium-3-carboxylate chloride CAS Name: 2-(8-methyl-2-phenyl-3-indolizinyl)-1-(2-oxoethyl)-3-pyridin-1-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl 2-(8-methyl-2-phenylindolizin-3-yl)-1-(2-oxoethyl)pyridin-1-ium-3-carboxylate chloride Traditional Name: 1-(2-ketoethyl)-2-(8-methyl-2-phenyl-indolizin-3-yl)pyridin-1-ium-3-carboxylic acid methyl ester chloride Formula: C24H21ClN2O3 MolecularWeight: 420.88814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=CC(=C2C3=C(C=CC=[N+]3CC=O)C(=O)OC)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=CN2C1=CC(=C2C3=C(C=CC=[N+]3CC=O)C(=O)OC)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H21N2O3.ClH/c1-17-8-6-13-26-21(17)16-20(18-9-4-3-5-10-18)23(26)22-19(24(28)29-2)11-7-12-25(22)14-15-27;/h3-13,15-16H,14H2,1-2H3;1H/q+1;/p-1