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

Systemtic Name: [(2S)-1-[(2,4-dimethylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2,4-dimethylphenyl)carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(2,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2,4-dimethylphenyl)carbamoyl]-2-methyl-propyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c1-8(2)12(14)13(16)15-11-6-5-9(3)7-10(11)4/h5-8,12H,14H2,1-4H3,(H,15,16)/p+1/t12-/m0/s1