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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-thiophen-3-ylethanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic 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-3-ylacetate Traditional Name: 2-(3-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=CC2=[N+](C=C1Br)C(=O)C=C(N2)COC(=O)CC3=CSC=C3

Isomeric SMILES

C1=CC2=[N+](C=C1Br)C(=O)C=C(N2)COC(=O)CC3=CSC=C3

InChI

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