4-(3-piperidin-1-ium-1-ylpropoxy)benzoate

Systemtic Name: 4-(3-piperidin-1-ium-1-ylpropoxy)benzoate Openeye Name: 4-(3-piperidin-1-ium-1-ylpropoxy)benzoate CAS Name: 4-[3-(1-piperidin-1-iumyl)propoxy]benzoate IUPAC Name: 4-(3-piperidin-1-ium-1-ylpropoxy)benzoate Traditional Name: 4-(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=C(C=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c17-15(18)13-5-7-14(8-6-13)19-12-4-11-16-9-2-1-3-10-16/h5-8H,1-4,9-12H2,(H,17,18)