1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]ethanone Formula: C21H25N4O2S+ MolecularWeight: 397.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H24N4O2S/c1-23-17-8-4-3-7-16(17)22-21(23)28-15-20(26)25-13-11-24(12-14-25)18-9-5-6-10-19(18)27-2/h3-10H,11-15H2,1-2H3/p+1