dimethyl-[2-[[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]amino]ethyl]azanium Openeye Name: 2-[[(1S)-2-anilino-1-methyl-2-oxo-ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-1-anilino-1-oxopropan-2-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-1-anilino-1-oxopropan-2-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(1S)-2-anilino-2-keto-1-methyl-ethyl]amino]ethyl-dimethyl-ammonium Formula: C13H22N3O+ MolecularWeight: 236.33328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)NCC[NH+](C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)NCC[NH+](C)C

InChI

InChI=1S/C13H21N3O/c1-11(14-9-10-16(2)3)13(17)15-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,15,17)/p+1/t11-/m0/s1