[(2S)-1-[(2,5-dimethylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2,5-dimethylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(2,5-dimethylphenyl)carbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(2,5-dimethylanilino)-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-(2,5-dimethylanilino)-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[(2,5-dimethylphenyl)carbamoyl]-3-methyl-butyl]ammonium Formula: C14H23N2O+ MolecularWeight: 235.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O/c1-9(2)7-12(15)14(17)16-13-8-10(3)5-6-11(13)4/h5-6,8-9,12H,7,15H2,1-4H3,(H,16,17)/p+1/t12-/m0/s1