diethyl-heptyl-[2-[4-(methylsulfonylamino)phenyl]-2-oxidanyl-ethyl]azanium bromide

Systemtic Name: diethyl-heptyl-[2-[4-(methylsulfonylamino)phenyl]-2-oxidanyl-ethyl]azanium bromide Openeye Name: diethyl-heptyl-[2-hydroxy-2-[4-(methanesulfonamido)phenyl]ethyl]ammonium bromide CAS Name: diethyl-heptyl-[2-hydroxy-2-[4-(methanesulfonamido)phenyl]ethyl]ammonium bromide IUPAC Name: diethyl-heptyl-[2-hydroxy-2-[4-(methanesulfonamido)phenyl]ethyl]azanium bromide Traditional Name: diethyl-heptyl-[2-hydroxy-2-[4-(methanesulfonamido)phenyl]ethyl]ammonium bromide Formula: C20H37BrN2O3S MolecularWeight: 465.48838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37N2O3S.BrH/c1-5-8-9-10-11-16-22(6-2,7-3)17-20(23)18-12-14-19(15-13-18)21-26(4,24)25;/h12-15,20-21,23H,5-11,16-17H2,1-4H3;1H/q+1;/p-1