4-(2-azaniumylethyl)benzoate

Systemtic Name: 4-(2-azaniumylethyl)benzoate Openeye Name: 4-(2-azaniumylethyl)benzoate CAS Name: 4-(2-ammonioethyl)benzoate IUPAC Name: 4-(2-azaniumylethyl)benzoate Traditional Name: 4-(2-ammonioethyl)benzoate Formula: C9H11NO2 MolecularWeight: 165.18914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H,11,12)