sodium 1-[6-chloranyl-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylate

Systemtic Name: sodium 1-[6-chloranyl-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylate Openeye Name: sodium 1-[6-chloro-5-(cyclohexylmethylcarbamoyl)-2-quinolyl]piperidine-4-carboxylate CAS Name: sodium 1-[6-chloro-5-[(cyclohexylmethylamino)-oxomethyl]-2-quinolinyl]-4-piperidinecarboxylate IUPAC Name: sodium 1-[6-chloro-5-(cyclohexylmethylcarbamoyl)quinolin-2-yl]piperidine-4-carboxylate Traditional Name: sodium 1-[6-chloro-5-(cyclohexylmethylcarbamoyl)-2-quinolyl]isonipecotate Formula: C23H27ClN3NaO3 MolecularWeight: 451.92155

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CCC(CC4)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CCC(CC4)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C23H28ClN3O3.Na/c24-18-7-8-19-17(21(18)22(28)25-14-15-4-2-1-3-5-15)6-9-20(26-19)27-12-10-16(11-13-27)23(29)30;/h6-9,15-16H,1-5,10-14H2,(H,25,28)(H,29,30);/q;+1/p-1