4-chloranyl-6-fluoranyl-1,2-dimethyl-quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-chloranyl-6-fluoranyl-1,2-dimethyl-quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-chloro-6-fluoro-1,2-dimethyl-quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-chloro-6-fluoro-1,2-dimethylquinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-chloro-6-fluoro-1,2-dimethylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-chloro-6-fluoro-1,2-dimethyl-quinolin-1-ium tosylate Formula: C18H17ClFNO3S MolecularWeight: 381.848883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(C=C(C=C2)F)C(=C1)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(C=C(C=C2)F)C(=C1)Cl)C

InChI

InChI=1S/C11H10ClFN.C7H8O3S/c1-7-5-10(12)9-6-8(13)3-4-11(9)14(7)2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1