3-[[[3-[diethyl-(phenylmethyl)azaniumyl]propylamino]-phenoxy-phosphoryl]amino]propyl-diethyl-(phenylmethyl)azanium dibromide

Systemtic Name: 3-[[[3-[diethyl-(phenylmethyl)azaniumyl]propylamino]-phenoxy-phosphoryl]amino]propyl-diethyl-(phenylmethyl)azanium dibromide Openeye Name: benzyl-[3-[[[3-[benzyl(diethyl)ammonio]propylamino]-phenoxy-phosphoryl]amino]propyl]-diethyl-ammonium dibromide CAS Name: 3-[[[3-[diethyl-(phenylmethyl)ammonio]propylamino]-phenoxyphosphoryl]amino]propyl-diethyl-(phenylmethyl)ammonium dibromide IUPAC Name: benzyl-[3-[[[3-[benzyl(diethyl)azaniumyl]propylamino]-phenoxyphosphoryl]amino]propyl]-diethylazanium dibromide Traditional Name: benzyl-[3-[[[3-[benzyl(diethyl)ammonio]propylamino]-phenoxy-phosphoryl]amino]propyl]-diethyl-ammonium dibromide Formula: C34H53Br2N4O2P MolecularWeight: 740.591981

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCCNP(=O)(NCCC[N+](CC)(CC)CC1=CC=CC=C1)OC2=CC=CC=C2)CC3=CC=CC=C3.[Br-].[Br-]

Isomeric SMILES

CC[N+](CC)(CCCNP(=O)(NCCC[N+](CC)(CC)CC1=CC=CC=C1)OC2=CC=CC=C2)CC3=CC=CC=C3.[Br-].[Br-]

InChI

InChI=1S/C34H53N4O2P.2BrH/c1-5-37(6-2,30-32-20-12-9-13-21-32)28-18-26-35-41(39,40-34-24-16-11-17-25-34)36-27-19-29-38(7-3,8-4)31-33-22-14-10-15-23-33;;/h9-17,20-25H,5-8,18-19,26-31H2,1-4H3,(H2,35,36,39);2*1H/q+2;;/p-2