2-phenoxy-2-[(1R,2R)-2-piperidin-1-ylcyclohexyl]sulfanyl-ethanoic acid hydrochloride

Systemtic Name: 2-phenoxy-2-[(1R,2R)-2-piperidin-1-ylcyclohexyl]sulfanyl-ethanoic acid hydrochloride Openeye Name: 2-phenoxy-2-[(1R,2R)-2-(1-piperidyl)cyclohexyl]sulfanyl-acetic acid hydrochloride CAS Name: 2-phenoxy-2-[[(1R,2R)-2-(1-piperidinyl)cyclohexyl]thio]acetic acid hydrochloride IUPAC Name: 2-phenoxy-2-[(1R,2R)-2-piperidin-1-ylcyclohexyl]sulfanylacetic acid hydrochloride Traditional Name: 2-phenoxy-2-[[(1R,2R)-2-piperidinocyclohexyl]thio]acetic acid hydrochloride Formula: C19H28ClNO3S MolecularWeight: 385.94852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCCCC2SC(C(=O)O)OC3=CC=CC=C3.Cl

Isomeric SMILES

C1CCN(CC1)[C@@H]2CCCC[C@H]2SC(C(=O)O)OC3=CC=CC=C3.Cl

InChI

InChI=1S/C19H27NO3S.ClH/c21-18(22)19(23-15-9-3-1-4-10-15)24-17-12-6-5-11-16(17)20-13-7-2-8-14-20;/h1,3-4,9-10,16-17,19H,2,5-8,11-14H2,(H,21,22);1H/t16-,17-,19?;/m1./s1