2-[bis(2-methylphenoxy)phosphoryl-ethyl-amino]ethyl-[6-[2-[bis(2-methylphenoxy)phosphoryl-ethyl-amino]ethyl-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dibromide

Systemtic Name: 2-[bis(2-methylphenoxy)phosphoryl-ethyl-amino]ethyl-[6-[2-[bis(2-methylphenoxy)phosphoryl-ethyl-amino]ethyl-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dibromide Openeye Name: 2-[bis(2-methylphenoxy)phosphoryl-ethyl-amino]ethyl-[6-[2-[bis(2-methylphenoxy)phosphoryl-ethyl-amino]ethyl-dimethyl-ammonio]hexyl]-dimethyl-ammonium dibromide CAS Name: 2-[bis(2-methylphenoxy)phosphoryl-ethylamino]ethyl-[6-[2-[bis(2-methylphenoxy)phosphoryl-ethylamino]ethyl-dimethylammonio]hexyl]-dimethylammonium dibromide IUPAC Name: 2-[bis(2-methylphenoxy)phosphoryl-ethylamino]ethyl-[6-[2-[bis(2-methylphenoxy)phosphoryl-ethylamino]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide Traditional Name: 2-[bis(2-methylphenoxy)phosphoryl-ethyl-amino]ethyl-[6-[2-[bis(2-methylphenoxy)phosphoryl-ethyl-amino]ethyl-dimethyl-ammonio]hexyl]-dimethyl-ammonium dibromide Formula: C46H70Br2N4O6P2 MolecularWeight: 996.826722

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+](C)(C)CCCCCC[N+](C)(C)CCN(CC)P(=O)(OC1=CC=CC=C1C)OC2=CC=CC=C2C)P(=O)(OC3=CC=CC=C3C)OC4=CC=CC=C4C.[Br-].[Br-]

Isomeric SMILES

CCN(CC[N+](C)(C)CCCCCC[N+](C)(C)CCN(CC)P(=O)(OC1=CC=CC=C1C)OC2=CC=CC=C2C)P(=O)(OC3=CC=CC=C3C)OC4=CC=CC=C4C.[Br-].[Br-]

InChI

InChI=1S/C46H70N4O6P2.2BrH/c1-11-47(57(51,53-43-29-19-15-25-39(43)3)54-44-30-20-16-26-40(44)4)33-37-49(7,8)35-23-13-14-24-36-50(9,10)38-34-48(12-2)58(52,55-45-31-21-17-27-41(45)5)56-46-32-22-18-28-42(46)6;;/h15-22,25-32H,11-14,23-24,33-38H2,1-10H3;2*1H/q+2;;/p-2