[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-dodecylsulfonyl-azanide hydrobromide

Systemtic Name: [4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-dodecylsulfonyl-azanide hydrobromide Openeye Name: [4-[allyl(dimethyl)ammonio]phenyl]-dodecylsulfonyl-azanide hydrobromide CAS Name: [4-[dimethyl(prop-2-enyl)ammonio]phenyl]-dodecylsulfonylazanide hydrobromide IUPAC Name: [4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-dodecylsulfonylazanide hydrobromide Traditional Name: [4-[allyl(dimethyl)ammonio]phenyl]-laurylsulfonyl-azanide hydrobromide Formula: C23H41BrN2O2S MolecularWeight: 489.55284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)[N-]C1=CC=C(C=C1)[N+](C)(C)CC=C.Br

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)[N-]C1=CC=C(C=C1)[N+](C)(C)CC=C.Br

InChI

InChI=1S/C23H40N2O2S.BrH/c1-5-7-8-9-10-11-12-13-14-15-21-28(26,27)24-22-16-18-23(19-17-22)25(3,4)20-6-2;/h6,16-19H,2,5,7-15,20-21H2,1,3-4H3;1H