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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(2-propan-2-ylsulfanylbenzimidazol-1-yl)ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-isopropylsulfanylbenzimidazol-1-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-[2-(propan-2-ylthio)-1-benzimidazolyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-propan-2-ylsulfanylbenzimidazol-1-yl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[2-(isopropylthio)benzimidazol-1-yl]ethanone Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)SC1=NC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4OS/c1-18(2)29-23-24-20-10-6-7-11-21(20)27(23)17-22(28)26-14-12-25(13-15-26)16-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3/p+1