2-(3-piperidin-1-ium-1-ylpropoxy)benzoate

Systemtic Name: 2-(3-piperidin-1-ium-1-ylpropoxy)benzoate Openeye Name: 2-(3-piperidin-1-ium-1-ylpropoxy)benzoate CAS Name: 2-[3-(1-piperidin-1-iumyl)propoxy]benzoate IUPAC Name: 2-(3-piperidin-1-ium-1-ylpropoxy)benzoate Traditional Name: 2-(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=C2C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCCOC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c17-15(18)13-7-2-3-8-14(13)19-12-6-11-16-9-4-1-5-10-16/h2-3,7-8H,1,4-6,9-12H2,(H,17,18)