(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(3-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(3-fluorophenyl)-1-cyclopentanecarboxylic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(3-fluorophenyl)cyclopentanecarboxylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H19BrFN2O3+ MolecularWeight: 446.289563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC(=CC=C2)F)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1CCC(C1)(C2=CC(=CC=C2)F)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C21H18BrFN2O3/c22-15-6-7-18-24-17(11-19(26)25(18)12-15)13-28-20(27)21(8-1-2-9-21)14-4-3-5-16(23)10-14/h3-7,10-12H,1-2,8-9,13H2/p+1