2-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(1-phenethyl-2-benzimidazolyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(1-phenethylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1-phenethylbenzimidazol-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C24H21N4OS+ MolecularWeight: 413.51474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C24H20N4OS/c29-23-16-19(25-22-12-6-7-14-28(22)23)17-30-24-26-20-10-4-5-11-21(20)27(24)15-13-18-8-2-1-3-9-18/h1-12,14,16H,13,15,17H2/p+1