diethyl-heptyl-[3-[4-(methylsulfonylamino)phenyl]-3-oxidanyl-propyl]azanium bromide

Systemtic Name: diethyl-heptyl-[3-[4-(methylsulfonylamino)phenyl]-3-oxidanyl-propyl]azanium bromide Openeye Name: diethyl-heptyl-[3-hydroxy-3-[4-(methanesulfonamido)phenyl]propyl]ammonium bromide CAS Name: diethyl-heptyl-[3-hydroxy-3-[4-(methanesulfonamido)phenyl]propyl]ammonium bromide IUPAC Name: diethyl-heptyl-[3-hydroxy-3-[4-(methanesulfonamido)phenyl]propyl]azanium bromide Traditional Name: diethyl-heptyl-[3-hydroxy-3-[4-(methanesulfonamido)phenyl]propyl]ammonium bromide Formula: C21H39BrN2O3S MolecularWeight: 479.51496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39N2O3S.BrH/c1-5-8-9-10-11-17-23(6-2,7-3)18-16-21(24)19-12-14-20(15-13-19)22-27(4,25)26;/h12-15,21-22,24H,5-11,16-18H2,1-4H3;1H/q+1;/p-1