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

Systemtic Name: 1-[1-(3,4-dimethoxyphenyl)ethenyl]-6,7-dimethoxy-isoquinolin-2-ium Openeye Name: 1-[1-(3,4-dimethoxyphenyl)vinyl]-6,7-dimethoxy-isoquinolin-2-ium CAS Name: 1-[1-(3,4-dimethoxyphenyl)ethenyl]-6,7-dimethoxyisoquinolin-2-ium IUPAC Name: 1-[1-(3,4-dimethoxyphenyl)ethenyl]-6,7-dimethoxyisoquinolin-2-ium Traditional Name: 1-[1-(3,4-dimethoxyphenyl)vinyl]-6,7-dimethoxy-isoquinolin-2-ium Formula: C21H22NO4+ MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=C)C2=[NH+]C=CC3=CC(=C(C=C32)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=C)C2=[NH+]C=CC3=CC(=C(C=C32)OC)OC)OC

InChI

InChI=1S/C21H21NO4/c1-13(14-6-7-17(23-2)18(10-14)24-3)21-16-12-20(26-5)19(25-4)11-15(16)8-9-22-21/h6-12H,1H2,2-5H3/p+1