benzenesulfonate; 1-methylquinolin-1-ium-8-ol

Systemtic Name: benzenesulfonate; 1-methylquinolin-1-ium-8-ol Openeye Name: benzenesulfonate; 1-methylquinolin-1-ium-8-ol CAS Name: benzenesulfonate; 1-methyl-8-quinolin-1-iumol IUPAC Name: benzenesulfonate; 1-methylquinolin-1-ium-8-ol Traditional Name: 1-methylquinolin-1-ium-8-ol besylate Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO.C6H6O3S/c1-11-7-3-5-8-4-2-6-9(12)10(8)11;7-10(8,9)6-4-2-1-3-5-6/h2-7H,1H3;1-5H,(H,7,8,9)