1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-benzylsulfanylbenzimidazol-1-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-benzylsulfanylbenzimidazol-1-yl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[2-(benzylthio)benzimidazol-1-yl]ethanone Formula: C27H29N4OS+ MolecularWeight: 457.61036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5

InChI

InChI=1S/C27H28N4OS/c32-26(30-17-15-29(16-18-30)19-22-9-3-1-4-10-22)20-31-25-14-8-7-13-24(25)28-27(31)33-21-23-11-5-2-6-12-23/h1-14H,15-21H2/p+1