[(1S)-3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-1-phenyl-propyl]azanium

Systemtic Name: [(1S)-3-[(2,5-dimethylphenyl)amino]-3-oxidanylidene-1-phenyl-propyl]azanium Openeye Name: [(1S)-3-(2,5-dimethylanilino)-3-oxo-1-phenyl-propyl]ammonium CAS Name: [(1S)-3-(2,5-dimethylanilino)-3-oxo-1-phenylpropyl]ammonium IUPAC Name: [(1S)-3-(2,5-dimethylanilino)-3-oxo-1-phenylpropyl]azanium Traditional Name: [(1S)-3-(2,5-dimethylanilino)-3-keto-1-phenyl-propyl]ammonium Formula: C17H21N2O+ MolecularWeight: 269.36144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O/c1-12-8-9-13(2)16(10-12)19-17(20)11-15(18)14-6-4-3-5-7-14/h3-10,15H,11,18H2,1-2H3,(H,19,20)/p+1/t15-/m0/s1