3-[8-[(2-ethoxy-2-oxidanylidene-ethyl)-dimethyl-azaniumyl]octyl-dimethyl-azaniumyl]propane-1-sulfonate bromide

Systemtic Name: 3-[8-[(2-ethoxy-2-oxidanylidene-ethyl)-dimethyl-azaniumyl]octyl-dimethyl-azaniumyl]propane-1-sulfonate bromide Openeye Name: 3-[8-[(2-ethoxy-2-oxo-ethyl)-dimethyl-ammonio]octyl-dimethyl-ammonio]propane-1-sulfonate bromide CAS Name: 3-[8-[(2-ethoxy-2-oxoethyl)-dimethylammonio]octyl-dimethylammonio]-1-propanesulfonate bromide IUPAC Name: 3-[8-[(2-ethoxy-2-oxoethyl)-dimethylazaniumyl]octyl-dimethylazaniumyl]propane-1-sulfonate bromide Traditional Name: 3-[8-[(2-ethoxy-2-keto-ethyl)-dimethyl-ammonio]octyl-dimethyl-ammonio]propane-1-sulfonate bromide Formula: C19H41BrN2O5S MolecularWeight: 489.50824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+](C)(C)CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-].[Br-]

Isomeric SMILES

CCOC(=O)C[N+](C)(C)CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-].[Br-]

InChI

InChI=1S/C19H41N2O5S.BrH/c1-6-26-19(22)18-21(4,5)15-12-10-8-7-9-11-14-20(2,3)16-13-17-27(23,24)25;/h6-18H2,1-5H3;1H/q+1;/p-1