trimethylazanium benzoate

Systemtic Name: trimethylazanium benzoate Openeye Name: trimethylammonium benzoate CAS Name: trimethylammonium benzoate IUPAC Name: trimethylazanium benzoate Traditional Name: trimethylammonium benzoate Formula: C10H15NO2 MolecularWeight: 181.2316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C3H9N/c8-7(9)6-4-2-1-3-5-6;1-4(2)3/h1-5H,(H,8,9);1-3H3