1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C19H19F6N2O2S+ MolecularWeight: 453.421779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F6N2O2S/c20-18(21,22)15-10-16(19(23,24)25)12-17(11-15)30(28,29)27-8-6-26(7-9-27)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2/p+1