methyl-(4-sulfobutan-2-yl)-sulfonyl-azanium; 2-(trifluoromethyl)aniline

Systemtic Name: methyl-(4-sulfobutan-2-yl)-sulfonyl-azanium; 2-(trifluoromethyl)aniline Openeye Name: methyl-(1-methyl-3-sulfo-propyl)-sulfonyl-ammonium; 2-(trifluoromethyl)aniline CAS Name: methyl-(4-sulfobutan-2-yl)-sulfonylammonium; 2-(trifluoromethyl)aniline IUPAC Name: methyl-(4-sulfobutan-2-yl)-sulfonylazanium; 2-(trifluoromethyl)aniline Traditional Name: methyl-(1-methyl-3-sulfo-propyl)-sulfonyl-ammonium; [2-(trifluoromethyl)phenyl]amine Formula: C12H18F3N2O5S2+ MolecularWeight: 391.40693

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)O)[N+](=S(=O)=O)C.C1=CC=C(C(=C1)C(F)(F)F)N

Isomeric SMILES

CC(CCS(=O)(=O)O)[N+](=S(=O)=O)C.C1=CC=C(C(=C1)C(F)(F)F)N

InChI

InChI=1S/C7H6F3N.C5H11NO5S2/c8-7(9,10)5-3-1-2-4-6(5)11;1-5(6(2)12(7)8)3-4-13(9,10)11/h1-4H,11H2;5H,3-4H2,1-2H3/p+1