benzenesulfonate; 1-methylquinolin-1-ium

Systemtic Name: benzenesulfonate; 1-methylquinolin-1-ium Openeye Name: benzenesulfonate; 1-methylquinolin-1-ium CAS Name: benzenesulfonate; 1-methylquinolin-1-ium IUPAC Name: benzenesulfonate; 1-methylquinolin-1-ium Traditional Name: 1-methylquinolin-1-ium besylate Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=CC=CC=C21.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC2=CC=CC=C21.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H10N.C6H6O3S/c1-11-8-4-6-9-5-2-3-7-10(9)11;7-10(8,9)6-4-2-1-3-5-6/h2-8H,1H3;1-5H,(H,7,8,9)/q+1;/p-1