N-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-sulfonamide Openeye Name: N-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-sulfonamide CAS Name: N-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-sulfonamide Traditional Name: N-[3-(trifluoromethyl)benzyl]piperazin-4-ium-1-sulfonamide Formula: C12H17F3N3O2S+ MolecularWeight: 324.34249

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)NCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)NCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C12H16F3N3O2S/c13-12(14,15)11-3-1-2-10(8-11)9-17-21(19,20)18-6-4-16-5-7-18/h1-3,8,16-17H,4-7,9H2/p+1