2-(4-azaniumylpiperidin-1-yl)carbonylbenzoate

Systemtic Name: 2-(4-azaniumylpiperidin-1-yl)carbonylbenzoate Openeye Name: 2-(4-azaniumylpiperidine-1-carbonyl)benzoate CAS Name: 2-[(4-ammonio-1-piperidinyl)-oxomethyl]benzoate IUPAC Name: 2-(4-azaniumylpiperidine-1-carbonyl)benzoate Traditional Name: 2-(4-ammoniopiperidine-1-carbonyl)benzoate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH3+])C(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CN(CCC1[NH3+])C(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H16N2O3/c14-9-5-7-15(8-6-9)12(16)10-3-1-2-4-11(10)13(17)18/h1-4,9H,5-8,14H2,(H,17,18)