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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CCC(CC2)C(=O)[O-])OC3=CC(=C(C=C3)Cl)Cl.[Na+]

Isomeric SMILES

C1CCN(CC1)C2(CCC(CC2)C(=O)[O-])OC3=CC(=C(C=C3)Cl)Cl.[Na+]

InChI

InChI=1S/C18H23Cl2NO3.Na/c19-15-5-4-14(12-16(15)20)24-18(21-10-2-1-3-11-21)8-6-13(7-9-18)17(22)23;/h4-5,12-13H,1-3,6-11H2,(H,22,23);/q;+1/p-1