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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-thiophen-2-ylethanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-thienyl)acetate CAS Name: 2-thiophen-2-ylacetic 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-thiophen-2-ylacetate Traditional Name: 2-(2-thienyl)acetic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C15H12BrN2O3S+ MolecularWeight: 380.23638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O3S/c16-10-3-4-13-17-11(6-14(19)18(13)8-10)9-21-15(20)7-12-2-1-5-22-12/h1-6,8H,7,9H2/p+1