1-(5-chloranylthiophen-2-yl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[2-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C16H17ClF3N2O2S2+ MolecularWeight: 425.89659

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H16ClF3N2O2S2/c17-14-5-6-15(25-14)26(23,24)22-9-7-21(8-10-22)11-12-3-1-2-4-13(12)16(18,19)20/h1-6H,7-11H2/p+1