1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-12-9-13(2)11-15(10-12)20-8-7-17-5-3-14(4-6-17)16(18)19/h9-11,14H,3-8H2,1-2H3,(H,18,19)