1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium chloride

Systemtic Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium chloride Formula: C24H32ClNO4 MolecularWeight: 433.96818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=[NH+]CCC3=CC(=C(C=C32)OCC)OCC)OCC.[Cl-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=[NH+]CCC3=CC(=C(C=C32)OCC)OCC)OCC.[Cl-]

InChI

InChI=1S/C24H31NO4.ClH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;/h9-10,14-16H,5-8,11-13H2,1-4H3;1H