2-[[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(1-isopentylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[1-(3-methylbutyl)-2-benzimidazolyl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1-isoamylbenzimidazol-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H23N4OS+ MolecularWeight: 379.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4OS/c1-15(2)10-12-24-18-8-4-3-7-17(18)23-21(24)27-14-16-13-20(26)25-11-6-5-9-19(25)22-16/h3-9,11,13,15H,10,12,14H2,1-2H3/p+1