(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxylic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C24H24N3O3+ MolecularWeight: 402.46566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C)C

InChI

InChI=1S/C24H23N3O3/c1-15-5-8-20(9-6-15)27-17(3)11-21(18(27)4)24(29)30-14-19-12-23(28)26-13-16(2)7-10-22(26)25-19/h5-13H,14H2,1-4H3/p+1