(2-methyl-5-pyrrolidin-1-yl-pent-3-yn-2-yl) 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate hydrochloride

Systemtic Name: (2-methyl-5-pyrrolidin-1-yl-pent-3-yn-2-yl) 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate hydrochloride Openeye Name: (1,1-dimethyl-4-pyrrolidin-1-yl-but-2-ynyl) 2-hydroxy-2-phenyl-2-(2-thienyl)acetate hydrochloride CAS Name: 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid [2-methyl-5-(1-pyrrolidinyl)pent-3-yn-2-yl] ester hydrochloride IUPAC Name: (2-methyl-5-pyrrolidin-1-ylpent-3-yn-2-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate hydrochloride Traditional Name: 2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid (1,1-dimethyl-4-pyrrolidino-but-2-ynyl) ester hydrochloride Formula: C22H26ClNO3S MolecularWeight: 419.96474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CCN1CCCC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.Cl

Isomeric SMILES

CC(C)(C#CCN1CCCC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.Cl

InChI

InChI=1S/C22H25NO3S.ClH/c1-21(2,13-9-16-23-14-6-7-15-23)26-20(24)22(25,19-12-8-17-27-19)18-10-4-3-5-11-18;/h3-5,8,10-12,17,25H,6-7,14-16H2,1-2H3;1H