1-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propan-2-one bromide

Systemtic Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propan-2-one bromide Openeye Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propan-2-one bromide CAS Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-isoquinolin-2-iumyl]-2-propanone bromide IUPAC Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium-2-yl]propan-2-one bromide Traditional Name: 1-(6,7-dimethoxy-1-veratryl-isoquinolin-2-ium-2-yl)acetone bromide Formula: C23H26BrNO5 MolecularWeight: 476.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC(=C(C=C3)OC)OC.[Br-]

Isomeric SMILES

CC(=O)C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC(=C(C=C3)OC)OC.[Br-]

InChI

InChI=1S/C23H26NO5.BrH/c1-15(25)14-24-9-8-17-12-22(28-4)23(29-5)13-18(17)19(24)10-16-6-7-20(26-2)21(11-16)27-3;/h6-9,11-13H,10,14H2,1-5H3;1H/q+1;/p-1