3-piperidin-1-ium-4-ylbenzoate

Systemtic Name: 3-piperidin-1-ium-4-ylbenzoate Openeye Name: 3-piperidin-1-ium-4-ylbenzoate CAS Name: 3-(4-piperidin-1-iumyl)benzoate IUPAC Name: 3-piperidin-1-ium-4-ylbenzoate Traditional Name: 3-piperidin-1-ium-4-ylbenzoate Formula: C12H15NO2 MolecularWeight: 205.253

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1C[NH2+]CCC1C2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H15NO2/c14-12(15)11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2,(H,14,15)