1-[(1S)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1S)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(1S)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[(1S)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(1S)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[(1S)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C19H22F3N2O2S+ MolecularWeight: 399.45039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N2O2S/c1-15(16-6-3-2-4-7-16)23-10-12-24(13-11-23)27(25,26)18-9-5-8-17(14-18)19(20,21)22/h2-9,14-15H,10-13H2,1H3/p+1/t15-/m0/s1