4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butane-1-sulfonate Formula: C15H21F3N2O3S MolecularWeight: 366.39905

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCS(=O)(=O)[O-])C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCCCS(=O)(=O)[O-])C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H21F3N2O3S/c16-15(17,18)13-4-3-5-14(12-13)20-9-7-19(8-10-20)6-1-2-11-24(21,22)23/h3-5,12H,1-2,6-11H2,(H,21,22,23)