1-[dodecyl(dimethyl)azaniumyl]-1-phenyl-propane-1-sulfonate bromide

Systemtic Name: 1-[dodecyl(dimethyl)azaniumyl]-1-phenyl-propane-1-sulfonate bromide Openeye Name: 1-[dodecyl(dimethyl)ammonio]-1-phenyl-propane-1-sulfonate bromide CAS Name: 1-[dodecyl(dimethyl)ammonio]-1-phenyl-1-propanesulfonate bromide IUPAC Name: 1-[dodecyl(dimethyl)azaniumyl]-1-phenylpropane-1-sulfonate bromide Traditional Name: 1-[lauryl(dimethyl)ammonio]-1-phenyl-propane-1-sulfonate bromide Formula: C23H41BrNO3S- MolecularWeight: 491.54554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41NO3S.BrH/c1-5-7-8-9-10-11-12-13-14-18-21-24(3,4)23(6-2,28(25,26)27)22-19-16-15-17-20-22;/h15-17,19-20H,5-14,18,21H2,1-4H3;1H/p-1