[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-dimethylazanium Traditional Name: [(1S)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl]-dimethyl-ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c1-9-6-7-10(2)12(8-9)14-13(16)11(3)15(4)5/h6-8,11H,1-5H3,(H,14,16)/p+1/t11-/m0/s1