2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-1-(4-benzylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thio]-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)SCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2N1)SCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-17(22-23-19-9-5-6-10-20(19)24-22)28-16-21(27)26-13-11-25(12-14-26)15-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,23,24)/p+1/t17-/m1/s1