benzenesulfonate; quinolin-1-ium

Systemtic Name: benzenesulfonate; quinolin-1-ium Openeye Name: benzenesulfonate; quinolin-1-ium CAS Name: benzenesulfonate; quinolin-1-ium IUPAC Name: benzenesulfonate; quinolin-1-ium Traditional Name: quinolin-1-ium besylate Formula: C15H13NO3S MolecularWeight: 287.33362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

InChI

InChI=1S/C9H7N.C6H6O3S/c1-2-6-9-8(4-1)5-3-7-10-9;7-10(8,9)6-4-2-1-3-5-6/h1-7H;1-5H,(H,7,8,9)