6-[dimethyl(6-pyren-1-ylhexyl)azaniumyl]hexyl-dodecyl-dimethyl-azanium bromide

Systemtic Name: 6-[dimethyl(6-pyren-1-ylhexyl)azaniumyl]hexyl-dodecyl-dimethyl-azanium bromide Openeye Name: 6-[dimethyl(6-pyren-1-ylhexyl)ammonio]hexyl-dodecyl-dimethyl-ammonium bromide CAS Name: 6-[dimethyl-[6-(1-pyrenyl)hexyl]ammonio]hexyl-dodecyl-dimethylammonium bromide IUPAC Name: 6-[dimethyl(6-pyren-1-ylhexyl)azaniumyl]hexyl-dodecyl-dimethylazanium bromide Traditional Name: 6-[dimethyl(6-pyren-1-ylhexyl)ammonio]hexyl-lauryl-dimethyl-ammonium bromide Formula: C88H140BrN4+3 MolecularWeight: 1333.984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.[Br-]

InChI

InChI=1S/2C44H70N2.BrH/c2*1-6-7-8-9-10-11-12-13-15-20-34-45(2,3)36-22-17-18-23-37-46(4,5)35-21-16-14-19-25-38-28-29-41-31-30-39-26-24-27-40-32-33-42(38)44(41)43(39)40;/h2*24,26-33H,6-23,25,34-37H2,1-5H3;1H/q2*+2;/p-1