[(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]-(3,5-dimethylphenyl)azanium

Systemtic Name: [(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]-(3,5-dimethylphenyl)azanium Openeye Name: [(1S)-2-(dimethylamino)-1-methyl-2-oxo-ethyl]-(3,5-dimethylphenyl)ammonium CAS Name: [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-(3,5-dimethylphenyl)ammonium IUPAC Name: [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-(3,5-dimethylphenyl)azanium Traditional Name: [(1S)-2-(dimethylamino)-2-keto-1-methyl-ethyl]-(3,5-dimethylphenyl)ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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