methyl 6,7-dimethoxy-4-(1-oxidanidylpyridin-1-ium-4-yl)isoquinoline-3-carboxylate

Systemtic Name: methyl 6,7-dimethoxy-4-(1-oxidanidylpyridin-1-ium-4-yl)isoquinoline-3-carboxylate Openeye Name: methyl 6,7-dimethoxy-4-(1-oxidopyridin-1-ium-4-yl)isoquinoline-3-carboxylate CAS Name: 6,7-dimethoxy-4-(1-oxido-4-pyridin-1-iumyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6,7-dimethoxy-4-(1-oxidopyridin-1-ium-4-yl)isoquinoline-3-carboxylate Traditional Name: 6,7-dimethoxy-4-(1-oxidopyridin-1-ium-4-yl)isoquinoline-3-carboxylic acid methyl ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=NC(=C2C3=CC=[N+](C=C3)[O-])C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=NC(=C2C3=CC=[N+](C=C3)[O-])C(=O)OC)OC

InChI

InChI=1S/C18H16N2O5/c1-23-14-8-12-10-19-17(18(21)25-3)16(13(12)9-15(14)24-2)11-4-6-20(22)7-5-11/h4-10H,1-3H3