7-bromanyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H14BrN4OS+ MolecularWeight: 402.28826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C17H13BrN4OS/c1-10-2-4-13-14(6-10)21-17(20-13)24-9-12-7-16(23)22-8-11(18)3-5-15(22)19-12/h2-8H,9H2,1H3,(H,20,21)/p+1