4,7-bis(chloranyl)-1-methyl-quinolin-1-ium; methyl hydrogen sulfate

Systemtic Name: 4,7-bis(chloranyl)-1-methyl-quinolin-1-ium; methyl hydrogen sulfate Openeye Name: 4,7-dichloro-1-methyl-quinolin-1-ium; methyl hydrogen sulfate CAS Name: 4,7-dichloro-1-methylquinolin-1-ium; sulfuric acid methyl ester IUPAC Name: 4,7-dichloro-1-methylquinolin-1-ium; methyl hydrogen sulfate Traditional Name: 4,7-dichloro-1-methyl-quinolin-1-ium; sulfuric acid methyl ester Formula: C11H12Cl2NO4S+ MolecularWeight: 325.18828

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=C(C=C1)Cl)Cl.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=C(C=C1)Cl)Cl.COS(=O)(=O)O

InChI

InChI=1S/C10H8Cl2N.CH4O4S/c1-13-5-4-9(12)8-3-2-7(11)6-10(8)13;1-5-6(2,3)4/h2-6H,1H3;1H3,(H,2,3,4)/q+1;