1,4-dimethylquinolin-1-ium-8-ol; 4-methylbenzenesulfonate

Systemtic Name: 1,4-dimethylquinolin-1-ium-8-ol; 4-methylbenzenesulfonate Openeye Name: 1,4-dimethylquinolin-1-ium-8-ol; 4-methylbenzenesulfonate CAS Name: 1,4-dimethyl-8-quinolin-1-iumol; 4-methylbenzenesulfonate IUPAC Name: 1,4-dimethylquinolin-1-ium-8-ol; 4-methylbenzenesulfonate Traditional Name: 1,4-dimethylquinolin-1-ium-8-ol tosylate Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO.C7H8O3S/c1-8-6-7-12(2)11-9(8)4-3-5-10(11)13;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1-2H3;2-5H,1H3,(H,8,9,10)