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

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(3-phenyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(3-phenyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[(3-phenyl-1H-benzimidazol-3-ium-2-yl)thio]ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(3-phenyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-[(3-phenyl-1H-benzimidazol-3-ium-2-yl)thio]ethanone Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=[N+](C4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=[N+](C4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2S/c1-32-24-14-8-7-13-23(24)28-15-17-29(18-16-28)25(31)19-33-26-27-21-11-5-6-12-22(21)30(26)20-9-3-2-4-10-20/h2-14H,15-19H2,1H3/p+1