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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-6,7-dimethoxy-isoquinolin-2-ium bromide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-6,7-dimethoxy-isoquinolin-2-ium bromide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-6,7-dimethoxyisoquinolin-2-ium bromide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-6,7-dimethoxyisoquinolin-2-ium bromide Traditional Name: 2-ethyl-6,7-dimethoxy-1-veratryl-isoquinolin-2-ium bromide Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26NO4.BrH/c1-6-23-10-9-16-13-21(26-4)22(27-5)14-17(16)18(23)11-15-7-8-19(24-2)20(12-15)25-3;/h7-10,12-14H,6,11H2,1-5H3;1H/q+1;/p-1