2-(2-azaniumylethylamino)-3-azanyl-benzoate

Systemtic Name: 2-(2-azaniumylethylamino)-3-azanyl-benzoate Openeye Name: 3-amino-2-(2-azaniumylethylamino)benzoate CAS Name: 3-amino-2-(2-ammonioethylamino)benzoate IUPAC Name: 3-amino-2-(2-azaniumylethylamino)benzoate Traditional Name: 3-amino-2-(2-ammonioethylamino)benzoate Formula: C9H13N3O2 MolecularWeight: 195.21842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O2/c10-4-5-12-8-6(9(13)14)2-1-3-7(8)11/h1-3,12H,4-5,10-11H2,(H,13,14)