7-bromanyl-2-(quinolin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-(quinolin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-(2-quinolylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[(2-quinolinylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-(quinolin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[(2-quinolylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H13BrN3OS+ MolecularWeight: 399.28432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C18H12BrN3OS/c19-13-6-7-16-20-14(9-18(23)22(16)10-13)11-24-17-8-5-12-3-1-2-4-15(12)21-17/h1-10H,11H2/p+1