[(2S)-1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(3,4-dimethylanilino)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(3,4-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(3,4-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(3,4-dimethylanilino)-2-keto-ethyl]ammonium Formula: C17H21N2O+ MolecularWeight: 269.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CC2=CC=CC=C2)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)[NH3+])C

InChI

InChI=1S/C17H20N2O/c1-12-8-9-15(10-13(12)2)19-17(20)16(18)11-14-6-4-3-5-7-14/h3-10,16H,11,18H2,1-2H3,(H,19,20)/p+1/t16-/m0/s1