1,4-dimethyl-4H-quinoline; methyl hydrogen sulfate

Systemtic Name: 1,4-dimethyl-4H-quinoline; methyl hydrogen sulfate Openeye Name: 1,4-dimethyl-4H-quinoline; methyl hydrogen sulfate CAS Name: 1,4-dimethyl-4H-quinoline; sulfuric acid methyl ester IUPAC Name: 1,4-dimethyl-4H-quinoline; methyl hydrogen sulfate Traditional Name: 1,4-dimethyl-4H-quinoline; sulfuric acid methyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CN(C2=CC=CC=C12)C.COS(=O)(=O)O

Isomeric SMILES

CC1C=CN(C2=CC=CC=C12)C.COS(=O)(=O)O

InChI

InChI=1S/C11H13N.CH4O4S/c1-9-7-8-12(2)11-6-4-3-5-10(9)11;1-5-6(2,3)4/h3-9H,1-2H3;1H3,(H,2,3,4)