[(1S)-1-acetamido-2,2,2-tris(chloranyl)ethyl]-phenethyl-azanium

Systemtic Name: [(1S)-1-acetamido-2,2,2-tris(chloranyl)ethyl]-phenethyl-azanium Openeye Name: [(1S)-1-acetamido-2,2,2-trichloro-ethyl]-phenethyl-ammonium CAS Name: [(1S)-1-acetamido-2,2,2-trichloroethyl]-phenethylammonium IUPAC Name: [(1S)-1-acetamido-2,2,2-trichloroethyl]-phenethylazanium Traditional Name: [(1S)-1-acetamido-2,2,2-trichloro-ethyl]-phenethyl-ammonium Formula: C12H16Cl3N2O+ MolecularWeight: 310.62724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(Cl)(Cl)Cl)[NH2+]CCC1=CC=CC=C1

Isomeric SMILES

CC(=O)N[C@H](C(Cl)(Cl)Cl)[NH2+]CCC1=CC=CC=C1

InChI

InChI=1S/C12H15Cl3N2O/c1-9(18)17-11(12(13,14)15)16-8-7-10-5-3-2-4-6-10/h2-6,11,16H,7-8H2,1H3,(H,17,18)/p+1/t11-/m1/s1