[4-(1-ethoxy-1-oxidanylidene-propan-2-yl)oxyphenyl]-methyl-(4-oxidanylisoquinolin-3-yl)azanium chloride

Systemtic Name: [4-(1-ethoxy-1-oxidanylidene-propan-2-yl)oxyphenyl]-methyl-(4-oxidanylisoquinolin-3-yl)azanium chloride Openeye Name: [4-(2-ethoxy-1-methyl-2-oxo-ethoxy)phenyl]-(4-hydroxy-3-isoquinolyl)-methyl-ammonium chloride CAS Name: [4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]-(4-hydroxy-3-isoquinolinyl)-methylammonium chloride IUPAC Name: [4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]-(4-hydroxyisoquinolin-3-yl)-methylazanium chloride Traditional Name: [4-(2-ethoxy-2-keto-1-methyl-ethoxy)phenyl]-(4-hydroxy-3-isoquinolyl)-methyl-ammonium chloride Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=C(C=C1)[NH+](C)C2=C(C3=CC=CC=C3C=N2)O.[Cl-]

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=C(C=C1)[NH+](C)C2=C(C3=CC=CC=C3C=N2)O.[Cl-]

InChI

InChI=1S/C21H22N2O4.ClH/c1-4-26-21(25)14(2)27-17-11-9-16(10-12-17)23(3)20-19(24)18-8-6-5-7-15(18)13-22-20;/h5-14,24H,4H2,1-3H3;1H