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

Systemtic Name: 2-(2-methylsulfanylbenzimidazol-1-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methylsulfanylbenzimidazol-1-yl)ethanone CAS Name: 2-[2-(methylthio)-1-benzimidazolyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methylsulfanylbenzimidazol-1-yl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[2-(methylthio)benzimidazol-1-yl]ethanone Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c1-27-21-22-18-9-5-6-10-19(18)25(21)16-20(26)24-13-11-23(12-14-24)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/p+1