2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-prop-2-enyl-isoquinolin-2-ium-3-one

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-prop-2-enyl-isoquinolin-2-ium-3-one Openeye Name: 2-allyl-2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-3-one CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-prop-2-enyl-3-isoquinolin-2-iumone IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-prop-2-enylisoquinolin-2-ium-3-one Traditional Name: 2-allyl-6,7-dimethoxy-2-veratryl-isoquinolin-2-ium-3-one Formula: C23H26NO5+ MolecularWeight: 396.45624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+]2(C=C3C=C(C(=CC3=CC2=O)OC)OC)CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+]2(C=C3C=C(C(=CC3=CC2=O)OC)OC)CC=C)OC

InChI

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