5-methoxy-3-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]carbonyl-2,3-dihydroinden-1-one hydrochloride

Systemtic Name: 5-methoxy-3-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]carbonyl-2,3-dihydroinden-1-one hydrochloride Openeye Name: 5-methoxy-3-[3-(pyrrolidin-1-ylmethyl)thiomorpholine-4-carbonyl]indan-1-one hydrochloride CAS Name: 5-methoxy-3-[oxo-[3-(1-pyrrolidinylmethyl)-4-thiomorpholinyl]methyl]-2,3-dihydroinden-1-one hydrochloride IUPAC Name: 5-methoxy-3-[3-(pyrrolidin-1-ylmethyl)thiomorpholine-4-carbonyl]-2,3-dihydroinden-1-one hydrochloride Traditional Name: 5-methoxy-3-[3-(pyrrolidinomethyl)thiomorpholine-4-carbonyl]indan-1-one hydrochloride Formula: C20H27ClN2O3S MolecularWeight: 410.95798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)CC2C(=O)N3CCSCC3CN4CCCC4.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)CC2C(=O)N3CCSCC3CN4CCCC4.Cl

InChI

InChI=1S/C20H26N2O3S.ClH/c1-25-15-4-5-16-17(10-15)18(11-19(16)23)20(24)22-8-9-26-13-14(22)12-21-6-2-3-7-21;/h4-5,10,14,18H,2-3,6-9,11-13H2,1H3;1H