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

Systemtic Name: 9-methyl-2-[(2-propylsulfanylbenzimidazol-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 9-methyl-2-[(2-propylsulfanylbenzimidazol-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 9-methyl-2-[[2-(propylthio)-1-benzimidazolyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 9-methyl-2-[(2-propylsulfanylbenzimidazol-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 9-methyl-2-[[2-(propylthio)benzimidazol-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC=CC=C2N1CC3=CC(=O)[N+]4=CC=CC(=C4N3)C

Isomeric SMILES

CCCSC1=NC2=CC=CC=C2N1CC3=CC(=O)[N+]4=CC=CC(=C4N3)C

InChI

InChI=1S/C20H20N4OS/c1-3-11-26-20-22-16-8-4-5-9-17(16)24(20)13-15-12-18(25)23-10-6-7-14(2)19(23)21-15/h4-10,12H,3,11,13H2,1-2H3/p+1