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

Systemtic Name: methyl 1-[2-oxidanylidene-2-(2-phenylindolizin-3-yl)ethyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-oxo-2-(2-phenyl-3-indolizinyl)ethyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(2-phenylindolizin-3-yl)ethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-keto-2-(2-phenylindolizin-3-yl)ethyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C23H19N2O3+ MolecularWeight: 371.40856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CC(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CC(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N2O3/c1-28-23(27)18-10-7-12-24(15-18)16-21(26)22-20(17-8-3-2-4-9-17)14-19-11-5-6-13-25(19)22/h2-15H,16H2,1H3/q+1