4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4H-isoquinolin-1-one hydrochloride

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4H-isoquinolin-1-one hydrochloride Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-4H-isoquinolin-1-one hydrochloride CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-4H-isoquinolin-1-one hydrochloride IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-4H-isoquinolin-1-one hydrochloride Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-4H-isoquinolin-1-one hydrochloride Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1C=NC(=O)C2=CC=CC=C12)O.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1C=NC(=O)C2=CC=CC=C12)O.Cl

InChI

InChI=1S/C16H22N2O3.ClH/c1-16(2,3)18-8-11(19)10-21-14-9-17-15(20)13-7-5-4-6-12(13)14;/h4-7,9,11,14,18-19H,8,10H2,1-3H3;1H