[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-[2,4,5-tris(chloranyl)phenyl]azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-[2,4,5-tris(chloranyl)phenyl]azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(2,4,5-trichlorophenyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(2,4,5-trichlorophenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(2,4,5-trichlorophenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(2,4,5-trichlorophenyl)ammonium Formula: C15H20Cl3N2O+ MolecularWeight: 350.6911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH2+]C2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH2+]C2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C15H19Cl3N2O/c1-10(15(21)20-6-4-2-3-5-7-20)19-14-9-12(17)11(16)8-13(14)18/h8-10,19H,2-7H2,1H3/p+1/t10-/m0/s1