[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl] 2-(1-benzothiophen-4-yl)ethanoate hydrochloride

Systemtic Name: [(1R,2R)-2-pyrrolidin-1-ylcyclohexyl] 2-(1-benzothiophen-4-yl)ethanoate hydrochloride Openeye Name: [(1R,2R)-2-pyrrolidin-1-ylcyclohexyl] 2-(benzothiophen-4-yl)acetate hydrochloride CAS Name: 2-(1-benzothiophen-4-yl)acetic acid [(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl] ester hydrochloride IUPAC Name: [(1R,2R)-2-pyrrolidin-1-ylcyclohexyl] 2-(1-benzothiophen-4-yl)acetate hydrochloride Traditional Name: 2-(benzothiophen-4-yl)acetic acid [(1R,2R)-2-pyrrolidinocyclohexyl] ester hydrochloride Formula: C20H26ClNO2S MolecularWeight: 379.94394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2CCCC2)OC(=O)CC3=C4C=CSC4=CC=C3.Cl

Isomeric SMILES

C1CC[C@H]([C@@H](C1)N2CCCC2)OC(=O)CC3=C4C=CSC4=CC=C3.Cl

InChI

InChI=1S/C20H25NO2S.ClH/c22-20(14-15-6-5-9-19-16(15)10-13-24-19)23-18-8-2-1-7-17(18)21-11-3-4-12-21;/h5-6,9-10,13,17-18H,1-4,7-8,11-12,14H2;1H/t17-,18-;/m1./s1