3,5,6-tris(chloranyl)-4-[4-(phenylmethyl)piperidin-1-yl]pyridine-2-carboxylate

Systemtic Name: 3,5,6-tris(chloranyl)-4-[4-(phenylmethyl)piperidin-1-yl]pyridine-2-carboxylate Openeye Name: 4-(4-benzyl-1-piperidyl)-3,5,6-trichloro-pyridine-2-carboxylate CAS Name: 3,5,6-trichloro-4-[4-(phenylmethyl)-1-piperidinyl]-2-pyridinecarboxylate IUPAC Name: 4-(4-benzylpiperidin-1-yl)-3,5,6-trichloropyridine-2-carboxylate Traditional Name: 4-(4-benzylpiperidino)-3,5,6-trichloro-picolinate Formula: C18H16Cl3N2O2- MolecularWeight: 398.69084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=C3Cl)Cl)C(=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=C3Cl)Cl)C(=O)[O-])Cl

InChI

InChI=1S/C18H17Cl3N2O2/c19-13-15(18(24)25)22-17(21)14(20)16(13)23-8-6-12(7-9-23)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,24,25)/p-1