O4-methyl O2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] ester IUPAC Name: 4-O-methyl 2-O-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl] ester O4-methyl ester Formula: C18H18N3O5+ MolecularWeight: 356.35262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C18H17N3O5/c1-10-15(17(23)25-3)11(2)19-16(10)18(24)26-9-12-8-14(22)21-7-5-4-6-13(21)20-12/h4-8H,9H2,1-3H3,(H,19,23,24)/p+1