1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-methylphenoxy)ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-12-3-2-4-14(11-12)19-10-9-16-7-5-13(6-8-16)15(17)18/h2-4,11,13H,5-10H2,1H3,(H,17,18)