3,7-dimethyloct-6-enyl-diethyl-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)azanium bromide

Systemtic Name: 3,7-dimethyloct-6-enyl-diethyl-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)azanium bromide Openeye Name: 3,7-dimethyloct-6-enyl-diethyl-[2-hydroxy-3-(2-naphthyloxy)propyl]ammonium bromide CAS Name: 3,7-dimethyloct-6-enyl-diethyl-[2-hydroxy-3-(2-naphthalenyloxy)propyl]ammonium bromide IUPAC Name: 3,7-dimethyloct-6-enyl-diethyl-(2-hydroxy-3-naphthalen-2-yloxypropyl)azanium bromide Traditional Name: 3,7-dimethyloct-6-enyl-diethyl-[2-hydroxy-3-(2-naphthoxy)propyl]ammonium bromide Formula: C27H42BrNO2 MolecularWeight: 492.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCC(C)CCC=C(C)C)CC(COC1=CC2=CC=CC=C2C=C1)O.[Br-]

Isomeric SMILES

CC[N+](CC)(CCC(C)CCC=C(C)C)CC(COC1=CC2=CC=CC=C2C=C1)O.[Br-]

InChI

InChI=1S/C27H42NO2.BrH/c1-6-28(7-2,18-17-23(5)12-10-11-22(3)4)20-26(29)21-30-27-16-15-24-13-8-9-14-25(24)19-27;/h8-9,11,13-16,19,23,26,29H,6-7,10,12,17-18,20-21H2,1-5H3;1H/q+1;/p-1