1-(3,4-diethoxyphenyl)-6,7-diethoxy-isoquinolin-2-ium chloride

Systemtic Name: 1-(3,4-diethoxyphenyl)-6,7-diethoxy-isoquinolin-2-ium chloride Openeye Name: 1-(3,4-diethoxyphenyl)-6,7-diethoxy-isoquinolin-2-ium chloride CAS Name: 1-(3,4-diethoxyphenyl)-6,7-diethoxyisoquinolin-2-ium chloride IUPAC Name: 1-(3,4-diethoxyphenyl)-6,7-diethoxyisoquinolin-2-ium chloride Traditional Name: 1-(3,4-diethoxyphenyl)-6,7-diethoxy-isoquinolin-2-ium chloride Formula: C23H28ClNO4 MolecularWeight: 417.92572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=[NH+]C=CC3=CC(=C(C=C32)OCC)OCC)OCC.[Cl-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=[NH+]C=CC3=CC(=C(C=C32)OCC)OCC)OCC.[Cl-]

InChI

InChI=1S/C23H27NO4.ClH/c1-5-25-19-10-9-17(14-20(19)26-6-2)23-18-15-22(28-8-4)21(27-7-3)13-16(18)11-12-24-23;/h9-15H,5-8H2,1-4H3;1H