(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(3-chlorophenyl)cyclohexane-1-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(3-chlorophenyl)cyclohexane-1-carboxylate Openeye Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(3-chlorophenyl)cyclohexanecarboxylate CAS Name: 1-(3-chlorophenyl)-1-cyclohexanecarboxylic acid (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(3-chlorophenyl)cyclohexane-1-carboxylate Traditional Name: 1-(3-chlorophenyl)cyclohexanecarboxylic acid (4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C23H24ClN2O3+ MolecularWeight: 411.90126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3(CCCCC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3(CCCCC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H23ClN2O3/c1-16-7-6-12-26-20(27)14-19(25-21(16)26)15-29-22(28)23(10-3-2-4-11-23)17-8-5-9-18(24)13-17/h5-9,12-14H,2-4,10-11,15H2,1H3/p+1