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

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium Openeye Name: 1-(2-naphthylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium CAS Name: 1-(2-naphthalenylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium Traditional Name: 1-(2-naphthylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium Formula: C21H20F3N2O2S+ MolecularWeight: 421.45591

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O2S/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/p+1