N,N,1-triethyl-2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-triethyl-2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[(4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]benzimidazole-5-sulfonamide Formula: C23H28N5O3S2+ MolecularWeight: 486.63012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=CC(=O)[N+]4=CC=CC(=C4N3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=CC(=O)[N+]4=CC=CC(=C4N3)C

InChI

InChI=1S/C23H27N5O3S2/c1-5-26(6-2)33(30,31)18-10-11-20-19(14-18)25-23(27(20)7-3)32-15-17-13-21(29)28-12-8-9-16(4)22(28)24-17/h8-14H,5-7,15H2,1-4H3/p+1