1-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonyl-4-(thiophen-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonyl-4-(thiophen-3-ylmethyl)piperazin-4-ium Openeye Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(3-thenyl)piperazin-4-ium Formula: C16H17ClF3N2O2S2+ MolecularWeight: 425.89659

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)S(=O)(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)S(=O)(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

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