1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]ethanone Formula: C19H22ClN4OS2+ MolecularWeight: 421.98718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C19H21ClN4OS2/c1-13-2-4-15-16(10-13)22-19(21-15)26-12-18(25)24-8-6-23(7-9-24)11-14-3-5-17(20)27-14/h2-5,10H,6-9,11-12H2,1H3,(H,21,22)/p+1