[(3S,4S)-4-phenylpiperidin-3-yl] 5-pyridin-2-ylthiophene-2-carboxylate hydrochloride

Systemtic Name: [(3S,4S)-4-phenylpiperidin-3-yl] 5-pyridin-2-ylthiophene-2-carboxylate hydrochloride Openeye Name: [(3S,4S)-4-phenyl-3-piperidyl] 5-(2-pyridyl)thiophene-2-carboxylate hydrochloride CAS Name: 5-(2-pyridinyl)-2-thiophenecarboxylic acid [(3S,4S)-4-phenyl-3-piperidinyl] ester hydrochloride IUPAC Name: [(3S,4S)-4-phenylpiperidin-3-yl] 5-pyridin-2-ylthiophene-2-carboxylate hydrochloride Traditional Name: 5-(2-pyridyl)thiophene-2-carboxylic acid [(3S,4S)-4-phenyl-3-piperidyl] ester hydrochloride Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=CC=C2)OC(=O)C3=CC=C(S3)C4=CC=CC=N4.Cl

Isomeric SMILES

C1CNC[C@H]([C@@H]1C2=CC=CC=C2)OC(=O)C3=CC=C(S3)C4=CC=CC=N4.Cl

InChI

InChI=1S/C21H20N2O2S.ClH/c24-21(20-10-9-19(26-20)17-8-4-5-12-23-17)25-18-14-22-13-11-16(18)15-6-2-1-3-7-15;/h1-10,12,16,18,22H,11,13-14H2;1H/t16-,18+;/m0./s1