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

Systemtic Name: 7-bromanyl-2-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylmethyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]methyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H17BrClN4OS+ MolecularWeight: 512.82928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Br

InChI

InChI=1S/C23H16BrClN4OS/c24-16-6-9-21-26-18(11-22(30)29(21)13-16)14-31-23-27-19-10-17(25)7-8-20(19)28(23)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2/p+1