1,2-dimethyl-8-oxidanyl-quinolin-1-ium-7-carbaldehyde; methyl sulfate

Systemtic Name: 1,2-dimethyl-8-oxidanyl-quinolin-1-ium-7-carbaldehyde; methyl sulfate Openeye Name: 8-hydroxy-1,2-dimethyl-quinolin-1-ium-7-carbaldehyde; methyl sulfate CAS Name: 8-hydroxy-1,2-dimethyl-7-quinolin-1-iumcarboxaldehyde; methyl sulfate IUPAC Name: 8-hydroxy-1,2-dimethylquinolin-1-ium-7-carbaldehyde; methyl sulfate Traditional Name: 8-hydroxy-1,2-dimethyl-quinolin-1-ium-7-carbaldehyde; methyl sulfate Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C=CC(=C2O)C=O)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C=CC(=C2O)C=O)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H11NO2.CH4O4S/c1-8-3-4-9-5-6-10(7-14)12(15)11(9)13(8)2;1-5-6(2,3)4/h3-7H,1-2H3;1H3,(H,2,3,4)