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

Systemtic Name: 1-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonyl-4-(furan-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(2-furylmethyl)piperazin-4-ium CAS Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(2-furanylmethyl)piperazin-4-ium IUPAC Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(furan-2-ylmethyl)piperazin-4-ium Traditional Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(2-furfuryl)piperazin-4-ium Formula: C16H17ClF3N2O3S+ MolecularWeight: 409.83099

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)S(=O)(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)S(=O)(=O)C3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H16ClF3N2O3S/c17-12-3-4-15(14(10-12)16(18,19)20)26(23,24)22-7-5-21(6-8-22)11-13-2-1-9-25-13/h1-4,9-10H,5-8,11H2/p+1