2-chloranyl-6-[(3S)-3-methylpiperidin-1-yl]benzoate

Systemtic Name: 2-chloranyl-6-[(3S)-3-methylpiperidin-1-yl]benzoate Openeye Name: 2-chloro-6-[(3S)-3-methyl-1-piperidyl]benzoate CAS Name: 2-chloro-6-[(3S)-3-methyl-1-piperidinyl]benzoate IUPAC Name: 2-chloro-6-[(3S)-3-methylpiperidin-1-yl]benzoate Traditional Name: 2-chloro-6-[(3S)-3-methylpiperidino]benzoate Formula: C13H15ClNO2- MolecularWeight: 252.7167

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=CC=C2)Cl)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO2/c1-9-4-3-7-15(8-9)11-6-2-5-10(14)12(11)13(16)17/h2,5-6,9H,3-4,7-8H2,1H3,(H,16,17)/p-1/t9-/m0/s1