6,7-dimethoxy-3-(3-methoxy-4-propan-2-yloxy-phenyl)-2-methyl-isoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-3-(3-methoxy-4-propan-2-yloxy-phenyl)-2-methyl-isoquinolin-2-ium chloride Openeye Name: 3-(4-isopropoxy-3-methoxy-phenyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylisoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylisoquinolin-2-ium chloride Traditional Name: 3-(4-isopropoxy-3-methoxy-phenyl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium chloride Formula: C22H26ClNO4 MolecularWeight: 403.89914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C=[N+]2C)OC)OC)OC.[Cl-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C=[N+]2C)OC)OC)OC.[Cl-]

InChI

InChI=1S/C22H26NO4.ClH/c1-14(2)27-19-8-7-15(10-20(19)24-4)18-9-16-11-21(25-5)22(26-6)12-17(16)13-23(18)3;/h7-14H,1-6H3;1H/q+1;/p-1