2-chloranyl-6-methyl-3-(2-methylphenyl)quinolin-1-ium; hydrogen sulfate

Systemtic Name: 2-chloranyl-6-methyl-3-(2-methylphenyl)quinolin-1-ium; hydrogen sulfate Openeye Name: 2-chloro-6-methyl-3-(o-tolyl)quinolin-1-ium; hydrogen sulfate CAS Name: 2-chloro-6-methyl-3-(2-methylphenyl)quinolin-1-ium; hydrogen sulfate IUPAC Name: 2-chloro-6-methyl-3-(2-methylphenyl)quinolin-1-ium; hydrogen sulfate Traditional Name: 2-chloro-6-methyl-3-(o-tolyl)quinolin-1-ium bisulfate Formula: C17H16ClNO4S MolecularWeight: 365.83124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)Cl)C3=CC=CC=C3C.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)Cl)C3=CC=CC=C3C.OS(=O)(=O)[O-]

InChI

InChI=1S/C17H14ClN.H2O4S/c1-11-7-8-16-13(9-11)10-15(17(18)19-16)14-6-4-3-5-12(14)2;1-5(2,3)4/h3-10H,1-2H3;(H2,1,2,3,4)