[(2S)-4-methyl-1-[(2-methylphenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-4-methyl-1-[(2-methylphenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-3-methyl-1-(o-tolylcarbamoyl)butyl]ammonium CAS Name: [(2S)-4-methyl-1-(2-methylanilino)-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-4-methyl-1-(2-methylanilino)-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-3-methyl-1-(o-tolylcarbamoyl)butyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(CC(C)C)[NH3+]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](CC(C)C)[NH3+]

InChI

InChI=1S/C13H20N2O/c1-9(2)8-11(14)13(16)15-12-7-5-4-6-10(12)3/h4-7,9,11H,8,14H2,1-3H3,(H,15,16)/p+1/t11-/m0/s1