2-(2-methylphenyl)propan-2-ylazanium; 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: 2-(2-methylphenyl)propan-2-ylazanium; 3,4,5-tris(oxidanyl)benzoate Openeye Name: [1-methyl-1-(o-tolyl)ethyl]ammonium; 3,4,5-trihydroxybenzoate CAS Name: 2-(2-methylphenyl)propan-2-ylammonium; 3,4,5-trihydroxybenzoate IUPAC Name: 2-(2-methylphenyl)propan-2-ylazanium; 3,4,5-trihydroxybenzoate Traditional Name: [1-methyl-1-(o-tolyl)ethyl]ammonium; 3,4,5-trihydroxybenzoate Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)(C)[NH3+].C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)(C)[NH3+].C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

InChI

InChI=1S/C10H15N.C7H6O5/c1-8-6-4-5-7-9(8)10(2,3)11;8-4-1-3(7(11)12)2-5(9)6(4)10/h4-7H,11H2,1-3H3;1-2,8-10H,(H,11,12)