7-methyl-2-[[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-methyl-2-[[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(2-isopentylsulfanylbenzimidazol-1-yl)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[2-(3-methylbutylthio)-1-benzimidazolyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[2-(isoamylthio)benzimidazol-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3C4=CC=CC=C4N=C3SCCC(C)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CN3C4=CC=CC=C4N=C3SCCC(C)C

InChI

InChI=1S/C22H24N4OS/c1-15(2)10-11-28-22-24-18-6-4-5-7-19(18)25(22)14-17-12-21(27)26-13-16(3)8-9-20(26)23-17/h4-9,12-13,15H,10-11,14H2,1-3H3/p+1