21-[diethyl(methyl)azaniumyl]henicosyl-diethyl-methyl-azanium dibromide

Systemtic Name: 21-[diethyl(methyl)azaniumyl]henicosyl-diethyl-methyl-azanium dibromide Openeye Name: 21-[diethyl(methyl)ammonio]henicosyl-diethyl-methyl-ammonium dibromide CAS Name: 21-[diethyl(methyl)ammonio]heneicosyl-diethyl-methylammonium dibromide IUPAC Name: 21-[diethyl(methyl)azaniumyl]henicosyl-diethyl-methylazanium dibromide Traditional Name: 21-[diethyl(methyl)ammonio]heneicosyl-diethyl-methyl-ammonium dibromide Formula: C31H68Br2N2 MolecularWeight: 628.69302

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCCCCCCCCCCCCCCCCCCC[N+](C)(CC)CC.[Br-].[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCCCCCCCCCCCCCCCCCCCC[N+](C)(CC)CC.[Br-].[Br-]

InChI

InChI=1S/C31H68N2.2BrH/c1-7-32(5,8-2)30-28-26-24-22-20-18-16-14-12-11-13-15-17-19-21-23-25-27-29-31-33(6,9-3)10-4;;/h7-31H2,1-6H3;2*1H/q+2;;/p-2