1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride Openeye Name: 1-(2-naphthylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride CAS Name: 1-(2-naphthalenylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride Traditional Name: 1-(2-naphthylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium chloride Formula: C21H20ClF3N2O2S MolecularWeight: 456.90891

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Cl-]

InChI

InChI=1S/C21H19F3N2O2S.ClH/c22-21(23,24)18-6-3-7-19(15-18)25-10-12-26(13-11-25)29(27,28)20-9-8-16-4-1-2-5-17(16)14-20;/h1-9,14-15H,10-13H2;1H