1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanone

Systemtic Name: 1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanone Openeye Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-indan-5-ylsulfanyl-ethanone CAS Name: 1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-(2,3-dihydro-1H-inden-5-ylthio)ethanone IUPAC Name: 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanone Traditional Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-(indan-5-ylthio)ethanone Formula: C20H24ClN2OS2+ MolecularWeight: 408.00036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C20H23ClN2OS2/c21-19-7-6-18(26-19)13-22-8-10-23(11-9-22)20(24)14-25-17-5-4-15-2-1-3-16(15)12-17/h4-7,12H,1-3,8-11,13-14H2/p+1