1,2-dimethylquinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,2-dimethylquinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1,2-dimethylquinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 1,2-dimethylquinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1,2-dimethylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1,2-dimethylquinolin-1-ium tosylate Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2C=C1)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2C=C1)C

InChI

InChI=1S/C11H12N.C7H8O3S/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;1-6-2-4-7(5-3-6)11(8,9)10/h3-8H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1