2-chloranyl-6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]benzoate

Systemtic Name: 2-chloranyl-6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]benzoate Openeye Name: 2-chloro-6-[(3S,5S)-3,5-dimethyl-1-piperidyl]benzoate CAS Name: 2-chloro-6-[(3S,5S)-3,5-dimethyl-1-piperidinyl]benzoate IUPAC Name: 2-chloro-6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]benzoate Traditional Name: 2-chloro-6-[(3S,5S)-3,5-dimethylpiperidino]benzoate Formula: C14H17ClNO2- MolecularWeight: 266.74328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO2/c1-9-6-10(2)8-16(7-9)12-5-3-4-11(15)13(12)14(17)18/h3-5,9-10H,6-8H2,1-2H3,(H,17,18)/p-1/t9-,10-/m0/s1