sodium 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate

Systemtic Name: sodium 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate Openeye Name: sodium 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate CAS Name: sodium 4-[(4-chlorophenyl)methyl]-4-piperidinecarboxylate IUPAC Name: sodium 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate Traditional Name: sodium 4-(4-chlorobenzyl)isonipecotate Formula: C13H15ClNNaO2 MolecularWeight: 275.70647

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(CC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1CNCCC1(CC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H16ClNO2.Na/c14-11-3-1-10(2-4-11)9-13(12(16)17)5-7-15-8-6-13;/h1-4,15H,5-9H2,(H,16,17);/q;+1/p-1