phenyl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanesulfonic acid phenyl ester Formula: C19H22F3N2O3S+ MolecularWeight: 415.44979

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N2O3S/c20-19(21,22)16-5-4-6-17(15-16)24-11-9-23(10-12-24)13-14-28(25,26)27-18-7-2-1-3-8-18/h1-8,15H,9-14H2/p+1