S-(2-methyl-3-pyrrolidin-1-yl-propyl) 2-cyclopentyl-2-phenyl-ethanethioate hydrochloride

Systemtic Name: S-(2-methyl-3-pyrrolidin-1-yl-propyl) 2-cyclopentyl-2-phenyl-ethanethioate hydrochloride Openeye Name: S-(2-methyl-3-pyrrolidin-1-yl-propyl) 2-cyclopentyl-2-phenyl-ethanethioate hydrochloride CAS Name: 2-cyclopentyl-2-phenylethanethioic acid S-[2-methyl-3-(1-pyrrolidinyl)propyl] ester hydrochloride IUPAC Name: S-(2-methyl-3-pyrrolidin-1-ylpropyl) 2-cyclopentyl-2-phenylethanethioate hydrochloride Traditional Name: 2-cyclopentyl-2-phenyl-ethanethioic acid S-(2-methyl-3-pyrrolidino-propyl) ester hydrochloride Formula: C21H32ClNOS MolecularWeight: 382.00288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)CSC(=O)C(C2CCCC2)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(CN1CCCC1)CSC(=O)C(C2CCCC2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H31NOS.ClH/c1-17(15-22-13-7-8-14-22)16-24-21(23)20(19-11-5-6-12-19)18-9-3-2-4-10-18;/h2-4,9-10,17,19-20H,5-8,11-16H2,1H3;1H