(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-methyl-3-oxidanyl-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-methyl-3-oxidanyl-benzoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H14ClN2O4+ MolecularWeight: 345.75706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)O

InChI

InChI=1S/C17H13ClN2O4/c1-10-2-3-11(6-14(10)21)17(23)24-9-13-7-16(22)20-8-12(18)4-5-15(20)19-13/h2-8,21H,9H2,1H3/p+1