[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium Traditional Name: benzyl-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)[NH2+]CC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)[NH2+]CC1=CC=CC=C1

InChI

InChI=1S/C13H20N2O/c1-10(2)15-13(16)11(3)14-9-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3,(H,15,16)/p+1/t11-/m0/s1