4-(2-azaniumylethyl)-2-oxidanyl-benzoate

Systemtic Name: 4-(2-azaniumylethyl)-2-oxidanyl-benzoate Openeye Name: 4-(2-azaniumylethyl)-2-hydroxy-benzoate CAS Name: 4-(2-ammonioethyl)-2-hydroxybenzoate IUPAC Name: 4-(2-azaniumylethyl)-2-hydroxybenzoate Traditional Name: 4-(2-ammonioethyl)-2-hydroxy-benzoate Formula: C9H11NO3 MolecularWeight: 181.18854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC[NH3+])O)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1CC[NH3+])O)C(=O)[O-]

InChI

InChI=1S/C9H11NO3/c10-4-3-6-1-2-7(9(12)13)8(11)5-6/h1-2,5,11H,3-4,10H2,(H,12,13)