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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-cyclopentylethanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-cyclopentylacetate CAS Name: 2-cyclopentylacetic 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 2-cyclopentylacetate Traditional Name: 2-cyclopentylacetic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H18BrN2O3+ MolecularWeight: 366.22972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

C1CCC(C1)CC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C16H17BrN2O3/c17-12-5-6-14-18-13(8-15(20)19(14)9-12)10-22-16(21)7-11-3-1-2-4-11/h5-6,8-9,11H,1-4,7,10H2/p+1