1-[2-(4-chloranyl-3-methyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(4-chloranyl-3-methyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-chloro-3-methyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-chloro-3-methylphenoxy)ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(4-chloro-3-methylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-chloro-3-methyl-phenoxy)ethyl]piperidin-1-ium-4-carboxylate Formula: C15H20ClNO3 MolecularWeight: 297.7772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClNO3/c1-11-10-13(2-3-14(11)16)20-9-8-17-6-4-12(5-7-17)15(18)19/h2-3,10,12H,4-9H2,1H3,(H,18,19)