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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC(COC1=CN(C(C2=CC=CC=C21)O)CC)O.Cl

Isomeric SMILES

CCC(C)NCC(COC1=CN(C(C2=CC=CC=C21)O)CC)O.Cl

InChI

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