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

Systemtic Name: diethyl-heptyl-[4-[4-(methylsulfonylamino)phenyl]-4-oxidanyl-butyl]azanium bromide Openeye Name: diethyl-heptyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]ammonium bromide CAS Name: diethyl-heptyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]ammonium bromide IUPAC Name: diethyl-heptyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]azanium bromide Traditional Name: diethyl-heptyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]ammonium bromide Formula: C22H41BrN2O3S MolecularWeight: 493.54154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41N2O3S.BrH/c1-5-8-9-10-11-18-24(6-2,7-3)19-12-13-22(25)20-14-16-21(17-15-20)23-28(4,26)27;/h14-17,22-23,25H,5-13,18-19H2,1-4H3;1H/q+1;/p-1