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

Systemtic Name: 9-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 9-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 9-methyl-2-[[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 9-methyl-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 9-methyl-2-[[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H23N4OS+ MolecularWeight: 403.51992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NC4=C(N3C5=CC=CC=C5)CCCC4

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NC4=C(N3C5=CC=CC=C5)CCCC4

InChI

InChI=1S/C23H22N4OS/c1-16-8-7-13-26-21(28)14-17(24-22(16)26)15-29-23-25-19-11-5-6-12-20(19)27(23)18-9-3-2-4-10-18/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3/p+1