1-methylquinolin-1-ium-4-carbaldehyde; methyl sulfate

Systemtic Name: 1-methylquinolin-1-ium-4-carbaldehyde; methyl sulfate Openeye Name: 1-methylquinolin-1-ium-4-carbaldehyde; methyl sulfate CAS Name: 1-methyl-4-quinolin-1-iumcarboxaldehyde; methyl sulfate IUPAC Name: 1-methylquinolin-1-ium-4-carbaldehyde; methyl sulfate Traditional Name: 1-methylquinolin-1-ium-4-carbaldehyde; methyl sulfate Formula: C12H13NO5S MolecularWeight: 283.30032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C=O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)C=O.COS(=O)(=O)[O-]

InChI

InChI=1S/C11H10NO.CH4O4S/c1-12-7-6-9(8-13)10-4-2-3-5-11(10)12;1-5-6(2,3)4/h2-8H,1H3;1H3,(H,2,3,4)/q+1;/p-1