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

Systemtic Name: [3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-(3,7-dimethyloct-6-enyl)-diethyl-azanium bromide Openeye Name: [3-(4-chlorophenoxy)-2-hydroxy-propyl]-(3,7-dimethyloct-6-enyl)-diethyl-ammonium bromide CAS Name: [3-(4-chlorophenoxy)-2-hydroxypropyl]-(3,7-dimethyloct-6-enyl)-diethylammonium bromide IUPAC Name: [3-(4-chlorophenoxy)-2-hydroxypropyl]-(3,7-dimethyloct-6-enyl)-diethylazanium bromide Traditional Name: [3-(4-chlorophenoxy)-2-hydroxy-propyl]-(3,7-dimethyloct-6-enyl)-diethyl-ammonium bromide Formula: C23H39BrClNO2 MolecularWeight: 476.91826

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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)Cl)O.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C23H39ClNO2.BrH/c1-6-25(7-2,16-15-20(5)10-8-9-19(3)4)17-22(26)18-27-23-13-11-21(24)12-14-23;/h9,11-14,20,22,26H,6-8,10,15-18H2,1-5H3;1H/q+1;/p-1