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

Systemtic Name: 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-isoquinolin-1-one dihydrate hydrochloride Openeye Name: 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-isoquinolin-1-one dihydrate hydrochloride CAS Name: 2-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]ethyl]-5-methyl-1-isoquinolinone dihydrate hydrochloride IUPAC Name: 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methylisoquinolin-1-one dihydrate hydrochloride Traditional Name: 5-methyl-2-[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=CN(C2=O)CCN3CCCC3CO.O.O.Cl

Isomeric SMILES

CC1=CC=CC2=C1C=CN(C2=O)CCN3CCCC3CO.O.O.Cl

InChI

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