(4-methylphenyl)methyl-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azanium

Systemtic Name: (4-methylphenyl)methyl-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azanium Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]-(p-tolylmethyl)ammonium CAS Name: (4-methylphenyl)methyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]ammonium IUPAC Name: (4-methylphenyl)methyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]-(4-methylbenzyl)ammonium Formula: C14H23N2O+ MolecularWeight: 235.34522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O/c1-10(2)16-14(17)12(4)15-9-13-7-5-11(3)6-8-13/h5-8,10,12,15H,9H2,1-4H3,(H,16,17)/p+1/t12-/m0/s1