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

Systemtic Name: 3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-isochromen-1-one hydrochloride Openeye Name: 3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-isochromen-1-one hydrochloride CAS Name: 3-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]ethyl]-5-methyl-2-benzopyran-1-one hydrochloride IUPAC Name: 3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methylisochromen-1-one hydrochloride Traditional Name: 5-methyl-3-[2-(2-methylolpyrrolidino)ethyl]isocoumarin hydrochloride Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(OC2=O)CCN3CCCC3CO.Cl

Isomeric SMILES

CC1=CC=CC2=C1C=C(OC2=O)CCN3CCCC3CO.Cl

InChI

InChI=1S/C17H21NO3.ClH/c1-12-4-2-6-15-16(12)10-14(21-17(15)20)7-9-18-8-3-5-13(18)11-19;/h2,4,6,10,13,19H,3,5,7-9,11H2,1H3;1H