3-(3-piperidin-1-ium-1-ylpropoxy)benzoate

Systemtic Name: 3-(3-piperidin-1-ium-1-ylpropoxy)benzoate Openeye Name: 3-(3-piperidin-1-ium-1-ylpropoxy)benzoate CAS Name: 3-[3-(1-piperidin-1-iumyl)propoxy]benzoate IUPAC Name: 3-(3-piperidin-1-ium-1-ylpropoxy)benzoate Traditional Name: 3-(3-piperidin-1-ium-1-ylpropoxy)benzoate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c17-15(18)13-6-4-7-14(12-13)19-11-5-10-16-8-2-1-3-9-16/h4,6-7,12H,1-3,5,8-11H2,(H,17,18)