[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium benzoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium benzoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl]ammonium benzoate CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]ammonium benzoate IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl]azanium benzoate Traditional Name: [2-(2,6-dimethylanilino)-2-keto-ethyl]ammonium benzoate Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O.C7H6O2/c1-7-4-3-5-8(2)10(7)12-9(13)6-11;8-7(9)6-4-2-1-3-5-6/h3-5H,6,11H2,1-2H3,(H,12,13);1-5H,(H,8,9)