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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-oxidanidyl-isoquinolin-2-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-oxido-isoquinolin-2-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-oxidoisoquinolin-2-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-oxidoisoquinolin-2-ium Traditional Name: 2-oxido-1-veratryl-isoquinolin-2-ium Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO3/c1-21-17-8-7-13(12-18(17)22-2)11-16-15-6-4-3-5-14(15)9-10-19(16)20/h3-10,12H,11H2,1-2H3