4-methylbenzenesulfonate; 1-methylquinolin-1-ium-6-ol

Systemtic Name: 4-methylbenzenesulfonate; 1-methylquinolin-1-ium-6-ol Openeye Name: 4-methylbenzenesulfonate; 1-methylquinolin-1-ium-6-ol CAS Name: 4-methylbenzenesulfonate; 1-methyl-6-quinolin-1-iumol IUPAC Name: 4-methylbenzenesulfonate; 1-methylquinolin-1-ium-6-ol Traditional Name: 1-methylquinolin-1-ium-6-ol tosylate Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=C1C=CC(=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=C1C=CC(=C2)O

InChI

InChI=1S/C10H9NO.C7H8O3S/c1-11-6-2-3-8-7-9(12)4-5-10(8)11;1-6-2-4-7(5-3-6)11(8,9)10/h2-7H,1H3;2-5H,1H3,(H,8,9,10)