CAS Registry Number®
73791-64-7
CAS Name
1,3-Propanediaminium, N1-[3-[[3-[bis(phenylmethyl)amino]propyl](phenylmethyl)amino]propyl]-N1,N3-dimethyl-N1,N3,N3-tris(phenylmethyl)-, methyl sulfate (1:2)
Molecular Formula
C53H66N4.2CH3O4S
Molecular Mass
981.32
Other Names and Identifiers
InChI
InChI=1S/C53H66N4.CH4O4S/c1-56(45-51-30-15-6-16-31-51,40-23-41-57(2,46-52-32-17-7-18-33-52)47-53-34-19-8-20-35-53)39-22-38-54(42-48-24-9-3-10-25-48)36-21-37-55(43-49-26-11-4-12-27-49)44-50-28-13-5-14-29-50;1-5-6(2,3)4/h3-20,24-35H,21-23,36-47H2,1-2H3;1H3,(H,2,3,4)/q+2;/p-1
InChIKey
InChIKey=PCOSHPJRMWIVFU-UHFFFAOYSA-M
Canonical SMILES
O=S(=O)([O-])OC.C=1C=CC(=CC1)CN(CC=2C=CC=CC2)CCCN(CC=3C=CC=CC3)CCC[N+](C)(CC=4C=CC=CC4)CCC[N+](C)(CC=5C=CC=CC5)CC=6C=CC=CC6
Other Names for this Substance
- 1,3-Propanediaminium, N1-[3-[[3-[bis(phenylmethyl)amino]propyl](phenylmethyl)amino]propyl]-N1,N3-dimethyl-N1,N3,N3-tris(phenylmethyl)-, methyl sulfate (1:2)
- 1,3-Propanediaminium, N-[3-[[3-[bis(phenylmethyl)amino]propyl](phenylmethyl)amino]propyl]-N,N′-dimethyl-N,N′,N′-tris(phenylmethyl)-, bis(methyl sulfate)

