1-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-chloro-3,5-dimethyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-chloro-3,5-dimethyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C16H22ClNO3/c1-11-9-14(10-12(2)15(11)17)21-8-7-18-5-3-13(4-6-18)16(19)20/h9-10,13H,3-8H2,1-2H3,(H,19,20)