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

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic 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 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H19ClN3O4+ MolecularWeight: 412.84626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC(=C(C=C3)Cl)N4CCCC4=O

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC(=C(C=C3)Cl)N4CCCC4=O

InChI

InChI=1S/C21H18ClN3O4/c1-13-4-7-18-23-15(10-20(27)25(18)11-13)12-29-21(28)14-5-6-16(22)17(9-14)24-8-2-3-19(24)26/h4-7,9-11H,2-3,8,12H2,1H3/p+1