3,7-dimethyloct-6-enyl-diethyl-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]azanium bromide

Systemtic Name: 3,7-dimethyloct-6-enyl-diethyl-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]azanium bromide Openeye Name: 3,7-dimethyloct-6-enyl-diethyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]ammonium bromide CAS Name: 3,7-dimethyloct-6-enyl-diethyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]ammonium bromide IUPAC Name: 3,7-dimethyloct-6-enyl-diethyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium bromide Traditional Name: 3,7-dimethyloct-6-enyl-diethyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]ammonium bromide Formula: C24H42BrNO3 MolecularWeight: 472.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCC(C)CCC=C(C)C)CC(COC1=CC=C(C=C1)OC)O.[Br-]

Isomeric SMILES

CC[N+](CC)(CCC(C)CCC=C(C)C)CC(COC1=CC=C(C=C1)OC)O.[Br-]

InChI

InChI=1S/C24H42NO3.BrH/c1-7-25(8-2,17-16-21(5)11-9-10-20(3)4)18-22(26)19-28-24-14-12-23(27-6)13-15-24;/h10,12-15,21-22,26H,7-9,11,16-19H2,1-6H3;1H/q+1;/p-1