5-[diethyl-(phenylmethyl)azaniumyl]pentan-2-yl-dodecylsulfonyl-azanide hydrobromide

Systemtic Name: 5-[diethyl-(phenylmethyl)azaniumyl]pentan-2-yl-dodecylsulfonyl-azanide hydrobromide Openeye Name: [4-[benzyl(diethyl)ammonio]-1-methyl-butyl]-dodecylsulfonyl-azanide hydrobromide CAS Name: 5-[diethyl-(phenylmethyl)ammonio]pentan-2-yl-dodecylsulfonylazanide hydrobromide IUPAC Name: 5-[benzyl(diethyl)azaniumyl]pentan-2-yl-dodecylsulfonylazanide hydrobromide Traditional Name: [4-[benzyl(diethyl)ammonio]-1-methyl-butyl]-laurylsulfonyl-azanide hydrobromide Formula: C28H53BrN2O2S MolecularWeight: 561.70162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)[N-]C(C)CCC[N+](CC)(CC)CC1=CC=CC=C1.Br

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)[N-]C(C)CCC[N+](CC)(CC)CC1=CC=CC=C1.Br

InChI

InChI=1S/C28H52N2O2S.BrH/c1-5-8-9-10-11-12-13-14-15-19-25-33(31,32)29-27(4)21-20-24-30(6-2,7-3)26-28-22-17-16-18-23-28;/h16-18,22-23,27H,5-15,19-21,24-26H2,1-4H3;1H