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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanone Openeye Name: 2-(2-allylsulfanylbenzimidazol-1-yl)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-[2-(prop-2-enylthio)-1-benzimidazolyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanone Traditional Name: 2-[2-(allylthio)benzimidazol-1-yl]-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCSC1=NC2=CC=CC=C2N1CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-2-16-29-23-24-20-10-6-7-11-21(20)27(23)18-22(28)26-14-12-25(13-15-26)17-19-8-4-3-5-9-19/h2-11H,1,12-18H2/p+1