2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: 2-(3-amino-3-oxo-propyl)sulfonylethyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: 2-(3-amino-3-oxopropyl)sulfonylethyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: 2-(3-amino-3-oxopropyl)sulfonylethyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: 2-(3-amino-3-keto-propyl)sulfonylethyl-methyl-[4-(trifluoromethyl)benzyl]ammonium Formula: C14H20F3N2O3S+ MolecularWeight: 353.38041

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCS(=O)(=O)CCC(=O)N)CC1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

C[NH+](CCS(=O)(=O)CCC(=O)N)CC1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C14H19F3N2O3S/c1-19(7-9-23(21,22)8-6-13(18)20)10-11-2-4-12(5-3-11)14(15,16)17/h2-5H,6-10H2,1H3,(H2,18,20)/p+1