benzenesulfonate; 4-(4-fluorophenyl)-1-(phenylmethyl)-1-azoniabicyclo[3.1.1]hept-3-ene

Systemtic Name: benzenesulfonate; 4-(4-fluorophenyl)-1-(phenylmethyl)-1-azoniabicyclo[3.1.1]hept-3-ene Openeye Name: benzenesulfonate; 1-benzyl-4-(4-fluorophenyl)-1-azoniabicyclo[3.1.1]hept-3-ene CAS Name: benzenesulfonate; 4-(4-fluorophenyl)-1-(phenylmethyl)-1-azoniabicyclo[3.1.1]hept-3-ene IUPAC Name: benzenesulfonate; 1-benzyl-4-(4-fluorophenyl)-1-azoniabicyclo[3.1.1]hept-3-ene Traditional Name: 1-benzyl-4-(4-fluorophenyl)-1-azoniabicyclo[3.1.1]hept-3-ene besylate Formula: C25H24FNO3S MolecularWeight: 437.526363

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2C[N+]1(C2)CC3=CC=CC=C3)C4=CC=C(C=C4)F.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C1C=C(C2C[N+]1(C2)CC3=CC=CC=C3)C4=CC=C(C=C4)F.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H19FN.C6H6O3S/c20-18-8-6-16(7-9-18)19-10-11-21(13-17(19)14-21)12-15-4-2-1-3-5-15;7-10(8,9)6-4-2-1-3-5-6/h1-10,17H,11-14H2;1-5H,(H,7,8,9)/q+1;/p-1