1-[(3,4-dimethoxyphenyl)methyl]-5,6,7-trimethoxy-2-oxidanidyl-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-5,6,7-trimethoxy-2-oxidanidyl-3,4-dihydroisoquinolin-2-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-5,6,7-trimethoxy-2-oxido-3,4-dihydroisoquinolin-2-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-5,6,7-trimethoxy-2-oxido-3,4-dihydroisoquinolin-2-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-5,6,7-trimethoxy-2-oxido-3,4-dihydroisoquinolin-2-ium Traditional Name: 5,6,7-trimethoxy-2-oxido-1-veratryl-3,4-dihydroisoquinolin-2-ium Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=[N+](CCC3=C(C(=C(C=C32)OC)OC)OC)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=[N+](CCC3=C(C(=C(C=C32)OC)OC)OC)[O-])OC

InChI

InChI=1S/C21H25NO6/c1-24-17-7-6-13(11-18(17)25-2)10-16-15-12-19(26-3)21(28-5)20(27-4)14(15)8-9-22(16)23/h6-7,11-12H,8-10H2,1-5H3