2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C18H20ClN4OS2+ MolecularWeight: 407.9606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H19ClN4OS2/c19-16-6-5-13(26-16)11-22-7-9-23(10-8-22)17(24)12-25-18-20-14-3-1-2-4-15(14)21-18/h1-6H,7-12H2,(H,20,21)/p+1