(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic 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-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H11BrN3O3S+ MolecularWeight: 417.25654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)SC=N2

InChI

InChI=1S/C17H10BrN3O3S/c18-11-2-4-15-20-12(6-16(22)21(15)7-11)8-24-17(23)10-1-3-13-14(5-10)25-9-19-13/h1-7,9H,8H2/p+1