3-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]-2H-isoquinolin-1-one hydrochloride

Systemtic Name: 3-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]-2H-isoquinolin-1-one hydrochloride Openeye Name: 3-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]-2H-isoquinolin-1-one hydrochloride CAS Name: 3-[3-[2-(hydroxymethyl)-1-pyrrolidinyl]propyl]-2H-isoquinolin-1-one hydrochloride IUPAC Name: 3-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]-2H-isoquinolin-1-one hydrochloride Traditional Name: 3-[3-(2-methylolpyrrolidino)propyl]isocarbostyril hydrochloride Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCCC2=CC3=CC=CC=C3C(=O)N2)CO.Cl

Isomeric SMILES

C1CC(N(C1)CCCC2=CC3=CC=CC=C3C(=O)N2)CO.Cl

InChI

InChI=1S/C17H22N2O2.ClH/c20-12-15-7-4-10-19(15)9-3-6-14-11-13-5-1-2-8-16(13)17(21)18-14;/h1-2,5,8,11,15,20H,3-4,6-7,9-10,12H2,(H,18,21);1H