aminocarbonyl-(tert-butylsulfanylmethyl)-methyl-[3-(trifluoromethyl)phenyl]azanium

Systemtic Name: aminocarbonyl-(tert-butylsulfanylmethyl)-methyl-[3-(trifluoromethyl)phenyl]azanium Openeye Name: tert-butylsulfanylmethyl-carbamoyl-methyl-[3-(trifluoromethyl)phenyl]ammonium CAS Name: (tert-butylthio)methyl-carbamoyl-methyl-[3-(trifluoromethyl)phenyl]ammonium IUPAC Name: tert-butylsulfanylmethyl-carbamoyl-methyl-[3-(trifluoromethyl)phenyl]azanium Traditional Name: (tert-butylthio)methyl-carbamoyl-methyl-[3-(trifluoromethyl)phenyl]ammonium Formula: C14H20F3N2OS+ MolecularWeight: 321.38161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC[N+](C)(C1=CC=CC(=C1)C(F)(F)F)C(=O)N

Isomeric SMILES

CC(C)(C)SC[N+](C)(C1=CC=CC(=C1)C(F)(F)F)C(=O)N

InChI

InChI=1S/C14H19F3N2OS/c1-13(2,3)21-9-19(4,12(18)20)11-7-5-6-10(8-11)14(15,16)17/h5-8H,9H2,1-4H3,(H-,18,20)/p+1