4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,3-dimethyl-isoquinolin-1-one hydroiodide

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,3-dimethyl-isoquinolin-1-one hydroiodide Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,3-dimethyl-isoquinolin-1-one hydroiodide CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazinyl]-2,3-dimethyl-1-isoquinolinone hydroiodide IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,3-dimethylisoquinolin-1-one hydroiodide Traditional Name: 4-[4-(2-hydroxyethyl)piperazino]-2,3-dimethyl-isocarbostyril hydroiodide Formula: C17H24IN3O2 MolecularWeight: 429.29583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=O)N1C)N3CCN(CC3)CCO.I

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=O)N1C)N3CCN(CC3)CCO.I

InChI

InChI=1S/C17H23N3O2.HI/c1-13-16(20-9-7-19(8-10-20)11-12-21)14-5-3-4-6-15(14)17(22)18(13)2;/h3-6,21H,7-12H2,1-2H3;1H