6-[dimethyl(6,10,14-trimethylpentadecan-2-yl)azaniumyl]hexyl-dimethyl-(6,10,14-trimethylpentadecan-2-yl)azanium dibromide

Systemtic Name: 6-[dimethyl(6,10,14-trimethylpentadecan-2-yl)azaniumyl]hexyl-dimethyl-(6,10,14-trimethylpentadecan-2-yl)azanium dibromide Openeye Name: 6-[dimethyl(1,5,9,13-tetramethyltetradecyl)ammonio]hexyl-dimethyl-(1,5,9,13-tetramethyltetradecyl)ammonium dibromide CAS Name: 6-[dimethyl(6,10,14-trimethylpentadecan-2-yl)ammonio]hexyl-dimethyl-(6,10,14-trimethylpentadecan-2-yl)ammonium dibromide IUPAC Name: 6-[dimethyl(6,10,14-trimethylpentadecan-2-yl)azaniumyl]hexyl-dimethyl-(6,10,14-trimethylpentadecan-2-yl)azanium dibromide Traditional Name: 6-[dimethyl(1,5,9,13-tetramethyltetradecyl)ammonio]hexyl-dimethyl-(1,5,9,13-tetramethyltetradecyl)ammonium dibromide Formula: C46H98Br2N2 MolecularWeight: 839.09172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCCC(C)CCCC(C)CCCC(C)C.[Br-].[Br-]

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCCC(C)CCCC(C)CCCC(C)C.[Br-].[Br-]

InChI

InChI=1S/C46H98N2.2BrH/c1-39(2)25-19-27-41(5)29-21-31-43(7)33-23-35-45(9)47(11,12)37-17-15-16-18-38-48(13,14)46(10)36-24-34-44(8)32-22-30-42(6)28-20-26-40(3)4;;/h39-46H,15-38H2,1-14H3;2*1H/q+2;;/p-2