4-[4-(dimethylaminomethyl)phenyl]-5-oxidanyl-2H-isoquinolin-1-one hydrochloride

Systemtic Name: 4-[4-(dimethylaminomethyl)phenyl]-5-oxidanyl-2H-isoquinolin-1-one hydrochloride Openeye Name: 4-[4-(dimethylaminomethyl)phenyl]-5-hydroxy-2H-isoquinolin-1-one hydrochloride CAS Name: 4-[4-(dimethylaminomethyl)phenyl]-5-hydroxy-2H-isoquinolin-1-one hydrochloride IUPAC Name: 4-[4-(dimethylaminomethyl)phenyl]-5-hydroxy-2H-isoquinolin-1-one hydrochloride Traditional Name: 4-[4-(dimethylaminomethyl)phenyl]-5-hydroxy-isocarbostyril hydrochloride Formula: C18H19ClN2O2 MolecularWeight: 330.80866

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C2=CNC(=O)C3=C2C(=CC=C3)O.Cl

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C2=CNC(=O)C3=C2C(=CC=C3)O.Cl

InChI

InChI=1S/C18H18N2O2.ClH/c1-20(2)11-12-6-8-13(9-7-12)15-10-19-18(22)14-4-3-5-16(21)17(14)15;/h3-10,21H,11H2,1-2H3,(H,19,22);1H