tert-butyl-[3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)oxy-2-oxidanyl-propyl]azanium chloride

Systemtic Name: tert-butyl-[3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)oxy-2-oxidanyl-propyl]azanium chloride Openeye Name: tert-butyl-[2-hydroxy-3-[(2-methyl-1-oxo-4-isoquinolyl)oxy]propyl]ammonium chloride CAS Name: tert-butyl-[2-hydroxy-3-[(2-methyl-1-oxo-4-isoquinolinyl)oxy]propyl]ammonium chloride IUPAC Name: tert-butyl-[2-hydroxy-3-(2-methyl-1-oxoisoquinolin-4-yl)oxypropyl]azanium chloride Traditional Name: tert-butyl-[2-hydroxy-3-[(1-keto-2-methyl-4-isoquinolyl)oxy]propyl]ammonium chloride Formula: C17H25ClN2O3 MolecularWeight: 340.845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.[Cl-]

Isomeric SMILES

CC(C)(C)[NH2+]CC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.[Cl-]

InChI

InChI=1S/C17H24N2O3.ClH/c1-17(2,3)18-9-12(20)11-22-15-10-19(4)16(21)14-8-6-5-7-13(14)15;/h5-8,10,12,18,20H,9,11H2,1-4H3;1H