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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-oxidanidyl-isoquinolin-2-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-oxido-isoquinolin-2-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-oxidoisoquinolin-2-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-oxidoisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-oxido-1-veratryl-isoquinolin-2-ium Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OC)OC)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OC)OC)[O-])OC

InChI

InChI=1S/C20H21NO5/c1-23-17-6-5-13(10-18(17)24-2)9-16-15-12-20(26-4)19(25-3)11-14(15)7-8-21(16)22/h5-8,10-12H,9H2,1-4H3