(2,6-dimethylphenyl)carbamoyl-methyl-azanium benzoate

Systemtic Name: (2,6-dimethylphenyl)carbamoyl-methyl-azanium benzoate Openeye Name: (2,6-dimethylphenyl)carbamoyl-methyl-ammonium benzoate CAS Name: [(2,6-dimethylanilino)-oxomethyl]-methylammonium benzoate IUPAC Name: (2,6-dimethylphenyl)carbamoyl-methylazanium benzoate Traditional Name: (2,6-dimethylphenyl)carbamoyl-methyl-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)[NH2+]C.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[NH2+]C.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C10H14N2O.C7H6O2/c1-7-5-4-6-8(2)9(7)12-10(13)11-3;8-7(9)6-4-2-1-3-5-6/h4-6H,1-3H3,(H2,11,12,13);1-5H,(H,8,9)