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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=CC=CC=C4N=C3SCC=C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=CC=CC=C4N=C3SCC=C

InChI

InChI=1S/C23H26N4OS/c1-3-16-29-23-24-21-6-4-5-7-22(21)27(23)17-25-12-14-26(15-13-25)20-10-8-19(9-11-20)18(2)28/h3-11H,1,12-17H2,2H3/p+1