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

Systemtic Name: 3-[[[3-[dimethyl-(phenylmethyl)azaniumyl]propylamino]-phenoxy-phosphoryl]amino]propyl-dimethyl-(phenylmethyl)azanium dibromide Openeye Name: benzyl-[3-[[[3-[benzyl(dimethyl)ammonio]propylamino]-phenoxy-phosphoryl]amino]propyl]-dimethyl-ammonium dibromide CAS Name: 3-[[[3-[dimethyl-(phenylmethyl)ammonio]propylamino]-phenoxyphosphoryl]amino]propyl-dimethyl-(phenylmethyl)ammonium dibromide IUPAC Name: benzyl-[3-[[[3-[benzyl(dimethyl)azaniumyl]propylamino]-phenoxyphosphoryl]amino]propyl]-dimethylazanium dibromide Traditional Name: benzyl-[3-[[[3-[benzyl(dimethyl)ammonio]propylamino]-phenoxy-phosphoryl]amino]propyl]-dimethyl-ammonium dibromide Formula: C30H45Br2N4O2P MolecularWeight: 684.485661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45N4O2P.2BrH/c1-33(2,26-28-16-8-5-9-17-28)24-14-22-31-37(35,36-30-20-12-7-13-21-30)32-23-15-25-34(3,4)27-29-18-10-6-11-19-29;;/h5-13,16-21H,14-15,22-27H2,1-4H3,(H2,31,32,35);2*1H/q+2;;/p-2