sodium 4-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]cyclohexane-1-carboxylate

Systemtic Name: sodium 4-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]cyclohexane-1-carboxylate Openeye Name: sodium 4-[4-(3,4-dichlorophenoxy)-1-piperidyl]cyclohexanecarboxylate CAS Name: sodium 4-[4-(3,4-dichlorophenoxy)-1-piperidinyl]-1-cyclohexanecarboxylate IUPAC Name: sodium 4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]cyclohexane-1-carboxylate Traditional Name: sodium 4-[4-(3,4-dichlorophenoxy)piperidino]cyclohexanecarboxylate Formula: C18H22Cl2NNaO3 MolecularWeight: 394.26795

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)[O-])N2CCC(CC2)OC3=CC(=C(C=C3)Cl)Cl.[Na+]

Isomeric SMILES

C1CC(CCC1C(=O)[O-])N2CCC(CC2)OC3=CC(=C(C=C3)Cl)Cl.[Na+]

InChI

InChI=1S/C18H23Cl2NO3.Na/c19-16-6-5-15(11-17(16)20)24-14-7-9-21(10-8-14)13-3-1-12(2-4-13)18(22)23;/h5-6,11-14H,1-4,7-10H2,(H,22,23);/q;+1/p-1