3,7-dimethyloct-6-enyl-diethyl-[2-(3-nitrophenoxy)ethyl]azanium bromide

Systemtic Name: 3,7-dimethyloct-6-enyl-diethyl-[2-(3-nitrophenoxy)ethyl]azanium bromide Openeye Name: 3,7-dimethyloct-6-enyl-diethyl-[2-(3-nitrophenoxy)ethyl]ammonium bromide CAS Name: 3,7-dimethyloct-6-enyl-diethyl-[2-(3-nitrophenoxy)ethyl]ammonium bromide IUPAC Name: 3,7-dimethyloct-6-enyl-diethyl-[2-(3-nitrophenoxy)ethyl]azanium bromide Traditional Name: 3,7-dimethyloct-6-enyl-diethyl-[2-(3-nitrophenoxy)ethyl]ammonium bromide Formula: C22H37BrN2O3 MolecularWeight: 457.44478

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCC(C)CCC=C(C)C)CCOC1=CC=CC(=C1)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC[N+](CC)(CCC(C)CCC=C(C)C)CCOC1=CC=CC(=C1)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C22H37N2O3.BrH/c1-6-24(7-2,15-14-20(5)11-8-10-19(3)4)16-17-27-22-13-9-12-21(18-22)23(25)26;/h9-10,12-13,18,20H,6-8,11,14-17H2,1-5H3;1H/q+1;/p-1