(2,3,4-triethylphenyl)azanium benzoate

Systemtic Name: (2,3,4-triethylphenyl)azanium benzoate Openeye Name: (2,3,4-triethylphenyl)ammonium benzoate CAS Name: (2,3,4-triethylphenyl)ammonium benzoate IUPAC Name: (2,3,4-triethylphenyl)azanium benzoate Traditional Name: (2,3,4-triethylphenyl)ammonium benzoate Formula: C19H25NO2 MolecularWeight: 299.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)[NH3+])CC)CC.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C=C1)[NH3+])CC)CC.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H19N.C7H6O2/c1-4-9-7-8-12(13)11(6-3)10(9)5-2;8-7(9)6-4-2-1-3-5-6/h7-8H,4-6,13H2,1-3H3;1-5H,(H,8,9)