2-[(5-chloranylthiophen-2-yl)methylsulfanyl]-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(5-chloro-2-thienyl)methylsulfanyl]-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(5-chloro-2-thiophenyl)methylthio]-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(5-chloro-2-thienyl)methylthio]-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C20H24ClN2O2S2+ MolecularWeight: 423.99976

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CSCC4=CC=C(S4)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CSCC4=CC=C(S4)Cl

InChI

InChI=1S/C20H23ClN2O2S2/c21-19-4-2-17(27-19)13-26-14-20(24)23-8-6-22(7-9-23)12-15-1-3-18-16(11-15)5-10-25-18/h1-4,11H,5-10,12-14H2/p+1