2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]nicotinic acid Formula: C15H11BrN3O3S+ MolecularWeight: 393.23514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C15H10BrN3O3S/c16-9-3-4-12-18-10(6-13(20)19(12)7-9)8-23-14-11(15(21)22)2-1-5-17-14/h1-7H,8H2,(H,21,22)/p+1