2-piperidin-1-ylethyl 2-(4-oxidanylthian-4-yl)-2-phenyl-ethanoate hydrochloride

Systemtic Name: 2-piperidin-1-ylethyl 2-(4-oxidanylthian-4-yl)-2-phenyl-ethanoate hydrochloride Openeye Name: 2-(1-piperidyl)ethyl 2-(4-hydroxytetrahydrothiopyran-4-yl)-2-phenyl-acetate hydrochloride CAS Name: 2-(4-hydroxy-4-thianyl)-2-phenylacetic acid 2-(1-piperidinyl)ethyl ester hydrochloride IUPAC Name: 2-piperidin-1-ylethyl 2-(4-hydroxythian-4-yl)-2-phenylacetate hydrochloride Traditional Name: 2-(4-hydroxytetrahydrothiopyran-4-yl)-2-phenyl-acetic acid 2-piperidinoethyl ester hydrochloride Formula: C20H30ClNO3S MolecularWeight: 399.9751

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3(CCSCC3)O.Cl

Isomeric SMILES

C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3(CCSCC3)O.Cl

InChI

InChI=1S/C20H29NO3S.ClH/c22-19(24-14-13-21-11-5-2-6-12-21)18(17-7-3-1-4-8-17)20(23)9-15-25-16-10-20;/h1,3-4,7-8,18,23H,2,5-6,9-16H2;1H