S-[(1-methylpyrrolidin-3-yl)methyl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanethioate hydrochloride

Systemtic Name: S-[(1-methylpyrrolidin-3-yl)methyl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanethioate hydrochloride Openeye Name: S-[(1-methylpyrrolidin-3-yl)methyl] 2-cyclohexyl-2-hydroxy-2-phenyl-ethanethioate hydrochloride CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylethanethioic acid S-[(1-methyl-3-pyrrolidinyl)methyl] ester hydrochloride IUPAC Name: S-[(1-methylpyrrolidin-3-yl)methyl] 2-cyclohexyl-2-hydroxy-2-phenylethanethioate hydrochloride Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-ethanethioic acid S-[(1-methylpyrrolidin-3-yl)methyl] ester hydrochloride Formula: C20H30ClNO2S MolecularWeight: 383.9757

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)CSC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.Cl

Isomeric SMILES

CN1CCC(C1)CSC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C20H29NO2S.ClH/c1-21-13-12-16(14-21)15-24-19(22)20(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2,4-5,8-9,16,18,23H,3,6-7,10-15H2,1H3;1H