1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]ethanone Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4C)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4C)OC)OC

InChI

InChI=1S/C24H30N4O3S/c1-16-5-6-19-20(11-16)26-24(25-19)32-15-23(29)28-9-7-27(8-10-28)14-18-13-22(31-4)21(30-3)12-17(18)2/h5-6,11-13H,7-10,14-15H2,1-4H3,(H,25,26)/p+1