methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-isoquinolin-2-ium-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-isoquinolin-2-ium-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-isoquinolin-2-ium-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-3-isoquinolin-2-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-hydroxyisoquinolin-2-ium-3-carboxylate Traditional Name: 4-hydroxy-2-piperonyl-isoquinolin-2-ium-3-carboxylic acid methyl ester Formula: C19H16NO5+ MolecularWeight: 338.33404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2C=[N+]1CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2C=[N+]1CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C19H15NO5/c1-23-19(22)17-18(21)14-5-3-2-4-13(14)10-20(17)9-12-6-7-15-16(8-12)25-11-24-15/h2-8,10H,9,11H2,1H3/p+1