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

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-azanyl-4-chloranyl-benzoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H13ClN3O3+ MolecularWeight: 330.74572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O3/c17-12-5-4-10(7-13(12)18)16(22)23-9-11-8-15(21)20-6-2-1-3-14(20)19-11/h1-8H,9,18H2/p+1