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

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-ethyl-1H-isoquinolin-1-ol hydrochloride Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-ethyl-1H-isoquinolin-1-ol hydrochloride CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-ethyl-1H-isoquinolin-1-ol hydrochloride IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-ethyl-1H-isoquinolin-1-ol hydrochloride Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-ethyl-1H-isoquinolin-1-ol hydrochloride Formula: C18H29ClN2O3 MolecularWeight: 356.88746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C2C1O)OCC(CNC(C)(C)C)O.Cl

Isomeric SMILES

CCN1C=C(C2=CC=CC=C2C1O)OCC(CNC(C)(C)C)O.Cl

InChI

InChI=1S/C18H28N2O3.ClH/c1-5-20-11-16(14-8-6-7-9-15(14)17(20)22)23-12-13(21)10-19-18(2,3)4;/h6-9,11,13,17,19,21-22H,5,10,12H2,1-4H3;1H