1-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-4-ium CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-4-ium Formula: C12H16F3N2O2S+ MolecularWeight: 309.32785

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C12H15F3N2O2S/c13-12(14,15)10-4-1-2-5-11(10)20(18,19)17-8-3-6-16-7-9-17/h1-2,4-5,16H,3,6-9H2/p+1