[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(2-methylpropyl)azanium

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(2-methylpropyl)azanium Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]-isobutyl-ammonium CAS Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-(2-methylpropyl)ammonium IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-(2-methylpropyl)azanium Traditional Name: [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]-isobutyl-ammonium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH2+]CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC(C)C

InChI

InChI=1S/C20H26N2O/c1-14(2)13-21-19(17-8-6-5-7-9-17)20(23)22-18-12-15(3)10-11-16(18)4/h5-12,14,19,21H,13H2,1-4H3,(H,22,23)/p+1/t19-/m0/s1