5-methyl-3-[2-(3-oxidanylpyrrolidin-1-yl)ethyl]-2H-isoquinolin-1-one hydrochloride

Systemtic Name: 5-methyl-3-[2-(3-oxidanylpyrrolidin-1-yl)ethyl]-2H-isoquinolin-1-one hydrochloride Openeye Name: 3-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-5-methyl-2H-isoquinolin-1-one hydrochloride CAS Name: 3-[2-(3-hydroxy-1-pyrrolidinyl)ethyl]-5-methyl-2H-isoquinolin-1-one hydrochloride IUPAC Name: 3-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-5-methyl-2H-isoquinolin-1-one hydrochloride Traditional Name: 3-[2-(3-hydroxypyrrolidino)ethyl]-5-methyl-isocarbostyril hydrochloride Formula: C16H21ClN2O2 MolecularWeight: 308.80314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)CCN3CCC(C3)O.Cl

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)CCN3CCC(C3)O.Cl

InChI

InChI=1S/C16H20N2O2.ClH/c1-11-3-2-4-14-15(11)9-12(17-16(14)20)5-7-18-8-6-13(19)10-18;/h2-4,9,13,19H,5-8,10H2,1H3,(H,17,20);1H