2-(2-methylphenyl)propan-2-ylazanium benzoate

Systemtic Name: 2-(2-methylphenyl)propan-2-ylazanium benzoate Openeye Name: [1-methyl-1-(o-tolyl)ethyl]ammonium benzoate CAS Name: 2-(2-methylphenyl)propan-2-ylammonium benzoate IUPAC Name: 2-(2-methylphenyl)propan-2-ylazanium benzoate Traditional Name: [1-methyl-1-(o-tolyl)ethyl]ammonium benzoate Formula: C17H21NO2 MolecularWeight: 271.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N.C7H6O2/c1-8-6-4-5-7-9(8)10(2,3)11;8-7(9)6-4-2-1-3-5-6/h4-7H,11H2,1-3H3;1-5H,(H,8,9)