benzenesulfonate; 2-[4-(bromomethyl)phenyl]pyridin-1-ium

Systemtic Name: benzenesulfonate; 2-[4-(bromomethyl)phenyl]pyridin-1-ium Openeye Name: benzenesulfonate; 2-[4-(bromomethyl)phenyl]pyridin-1-ium CAS Name: benzenesulfonate; 2-[4-(bromomethyl)phenyl]pyridin-1-ium IUPAC Name: benzenesulfonate; 2-[4-(bromomethyl)phenyl]pyridin-1-ium Traditional Name: 2-[4-(bromomethyl)phenyl]pyridin-1-ium besylate Formula: C18H16BrNO3S MolecularWeight: 406.29354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[NH+]C(=C1)C2=CC=C(C=C2)CBr

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[NH+]C(=C1)C2=CC=C(C=C2)CBr

InChI

InChI=1S/C12H10BrN.C6H6O3S/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;7-10(8,9)6-4-2-1-3-5-6/h1-8H,9H2;1-5H,(H,7,8,9)