2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C20H21ClFN4OS+ MolecularWeight: 419.923343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H20ClFN4OS/c21-15-4-3-5-16(22)14(15)12-25-8-10-26(11-9-25)19(27)13-28-20-23-17-6-1-2-7-18(17)24-20/h1-7H,8-13H2,(H,23,24)/p+1