4-(2-azaniumylethylamino)benzoate

Systemtic Name: 4-(2-azaniumylethylamino)benzoate Openeye Name: 4-(2-azaniumylethylamino)benzoate CAS Name: 4-(2-ammonioethylamino)benzoate IUPAC Name: 4-(2-azaniumylethylamino)benzoate Traditional Name: 4-(2-ammonioethylamino)benzoate Formula: C9H12N2O2 MolecularWeight: 180.20378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NCC[NH3+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NCC[NH3+]

InChI

InChI=1S/C9H12N2O2/c10-5-6-11-8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6,10H2,(H,12,13)