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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic 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 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H16ClN4O3+ MolecularWeight: 395.81904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C20H15ClN4O3/c21-16-6-7-18-23-17(10-19(26)25(18)12-16)13-28-20(27)15-4-2-14(3-5-15)11-24-9-1-8-22-24/h1-10,12H,11,13H2/p+1