[1-(4-aminocarbonylphenyl)-3-sulfanyl-propan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [1-(4-aminocarbonylphenyl)-3-sulfanyl-propan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [1-[(4-carbamoylphenyl)methyl]-2-sulfanyl-ethyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [1-(4-carbamoylphenyl)-3-mercaptopropan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [1-(4-carbamoylphenyl)-3-sulfanylpropan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [1-(4-carbamoylbenzyl)-2-mercapto-ethyl]ammonium; 2,2,2-trifluoroacetate Formula: C12H15F3N2O3S MolecularWeight: 324.31931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CS)[NH3+])C(=O)N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(CS)[NH3+])C(=O)N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C10H14N2OS.C2HF3O2/c11-9(6-14)5-7-1-3-8(4-2-7)10(12)13;3-2(4,5)1(6)7/h1-4,9,14H,5-6,11H2,(H2,12,13);(H,6,7)