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

Systemtic Name: 3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one dihydrate hydrochloride Openeye Name: 3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one dihydrate hydrochloride CAS Name: 3-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]ethyl]-5-methyl-2H-isoquinolin-1-one dihydrate hydrochloride IUPAC Name: 3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one dihydrate hydrochloride Traditional Name: 5-methyl-3-[2-(2-methylolpyrrolidino)ethyl]isocarbostyril dihydrate hydrochloride Formula: C17H27ClN2O4 MolecularWeight: 358.86028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)CCN3CCCC3CO.O.O.Cl

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)CCN3CCCC3CO.O.O.Cl

InChI

InChI=1S/C17H22N2O2.ClH.2H2O/c1-12-4-2-6-15-16(12)10-13(18-17(15)21)7-9-19-8-3-5-14(19)11-20;;;/h2,4,6,10,14,20H,3,5,7-9,11H2,1H3,(H,18,21);1H;2*1H2