(2-bromophenyl)methyl-ethyl-dimethyl-azanium; hexadecane-1-sulfonate

Systemtic Name: (2-bromophenyl)methyl-ethyl-dimethyl-azanium; hexadecane-1-sulfonate Openeye Name: (2-bromophenyl)methyl-ethyl-dimethyl-ammonium; hexadecane-1-sulfonate CAS Name: (2-bromophenyl)methyl-ethyl-dimethylammonium; 1-hexadecanesulfonate IUPAC Name: (2-bromophenyl)methyl-ethyl-dimethylazanium; hexadecane-1-sulfonate Traditional Name: (2-bromobenzyl)-ethyl-dimethyl-ammonium; hexadecane-1-sulfonate Formula: C27H50BrNO3S MolecularWeight: 548.6598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)[O-].CC[N+](C)(C)CC1=CC=CC=C1Br

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)[O-].CC[N+](C)(C)CC1=CC=CC=C1Br

InChI

InChI=1S/C16H34O3S.C11H17BrN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;1-4-13(2,3)9-10-7-5-6-8-11(10)12/h2-16H2,1H3,(H,17,18,19);5-8H,4,9H2,1-3H3/q;+1/p-1