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

Systemtic Name: (9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-azanyl-4-fluoranyl-benzoate Openeye Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic 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 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid (4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H15FN3O3+ MolecularWeight: 328.317703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3=C(C=C(C=C3)F)N

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3=C(C=C(C=C3)F)N

InChI

InChI=1S/C17H14FN3O3/c1-10-3-2-6-21-15(22)8-12(20-16(10)21)9-24-17(23)13-5-4-11(18)7-14(13)19/h2-8H,9H2,1H3,(H2,19,23)/p+1