4-(azaniumylmethyl)-2,6-dimethyl-benzoate

Systemtic Name: 4-(azaniumylmethyl)-2,6-dimethyl-benzoate Openeye Name: 4-(azaniumylmethyl)-2,6-dimethyl-benzoate CAS Name: 4-(ammoniomethyl)-2,6-dimethylbenzoate IUPAC Name: 4-(azaniumylmethyl)-2,6-dimethylbenzoate Traditional Name: 4-(ammoniomethyl)-2,6-dimethyl-benzoate Formula: C10H13NO2 MolecularWeight: 179.21572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO2/c1-6-3-8(5-11)4-7(2)9(6)10(12)13/h3-4H,5,11H2,1-2H3,(H,12,13)