5-chloranyl-6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyridine-3-carboxylate Openeye Name: 5-chloro-6-[(3S,5S)-3,5-dimethyl-1-piperidyl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[(3S,5S)-3,5-dimethylpiperidino]nicotinate Formula: C13H16ClN2O2- MolecularWeight: 267.73134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=N2)C(=O)[O-])Cl)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=C(C=C(C=N2)C(=O)[O-])Cl)C

InChI

InChI=1S/C13H17ClN2O2/c1-8-3-9(2)7-16(6-8)12-11(14)4-10(5-15-12)13(17)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)/p-1/t8-,9-/m0/s1