2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H21N4OS+ MolecularWeight: 377.48264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SCC3=CC(=O)[N+]4=CC=CC(=C4N3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC3=CC(=O)[N+]4=CC=CC(=C4N3)C)C

InChI

InChI=1S/C21H20N4OS/c1-14-6-7-18(16(3)11-14)24-10-8-22-21(24)27-13-17-12-19(26)25-9-4-5-15(2)20(25)23-17/h4-12H,13H2,1-3H3/p+1