benzenesulfonate; 1-octadecylpyridin-1-ium

Systemtic Name: benzenesulfonate; 1-octadecylpyridin-1-ium Openeye Name: benzenesulfonate; 1-octadecylpyridin-1-ium CAS Name: benzenesulfonate; 1-octadecylpyridin-1-ium IUPAC Name: benzenesulfonate; 1-octadecylpyridin-1-ium Traditional Name: 1-stearylpyridin-1-ium besylate Formula: C29H47NO3S MolecularWeight: 489.75338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42N.C6H6O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;7-10(8,9)6-4-2-1-3-5-6/h17,19-20,22-23H,2-16,18,21H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1