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benzenesulfonate; dimethyl-octadecyl-(phenylmethyl)azanium

benzenesulfonate; dimethyl-octadecyl-(phenylmethyl)azanium

Systemtic Name:benzenesulfonate; dimethyl-octadecyl-(phenylmethyl)azanium
Openeye Name:benzenesulfonate; benzyl-dimethyl-octadecyl-ammonium
CAS Name:benzenesulfonate; dimethyl-octadecyl-(phenylmethyl)ammonium
IUPAC Name:benzenesulfonate; benzyl-dimethyl-octadecylazanium
Traditional Name:benzyl-dimethyl-stearyl-ammonium besylate
Formula: C33H55NO3S
MolecularWeight: 545.8597
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC=C(C=C1)S(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC=C(C=C1)S(=O)(=O)[O-]


InChI

InChI=1S/C27H50N.C6H6O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;7-10(8,9)6-4-2-1-3-5-6/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1


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