sulfanium 7-hexadecyl-7-azoniabicyclo[4.2.0]octa-1,3,5-triene chloride

Systemtic Name: sulfanium 7-hexadecyl-7-azoniabicyclo[4.2.0]octa-1,3,5-triene chloride Openeye Name: sulfonium 7-hexadecyl-7-azoniabicyclo[4.2.0]octa-1,3,5-triene chloride CAS Name: sulfonium 7-hexadecyl-7-azoniabicyclo[4.2.0]octa-1,3,5-triene chloride IUPAC Name: sulfanium 7-hexadecyl-7-azoniabicyclo[4.2.0]octa-1,3,5-triene chloride Traditional Name: sulfonium 7-cetyl-7-azoniabicyclo[4.2.0]octa-1,3,5-triene chloride Formula: C23H43ClNS+ MolecularWeight: 401.11222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+]1CC2=CC=CC=C21.[SH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+]1CC2=CC=CC=C21.[SH3+].[Cl-]

InChI

InChI=1S/C23H39N.ClH.H2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-21-22-18-15-16-19-23(22)24;;/h15-16,18-19H,2-14,17,20-21H2,1H3;1H;1H2/p+1