[2-[4-[4-[4-[2-[dimethyl(pentyl)azaniumyl]ethanoyl]phenyl]phenyl]phenyl]-2-oxidanylidene-ethyl]-dimethyl-pentyl-azanium dibromide

Systemtic Name: [2-[4-[4-[4-[2-[dimethyl(pentyl)azaniumyl]ethanoyl]phenyl]phenyl]phenyl]-2-oxidanylidene-ethyl]-dimethyl-pentyl-azanium dibromide Openeye Name: [2-[4-[4-[4-[2-[dimethyl(pentyl)ammonio]acetyl]phenyl]phenyl]phenyl]-2-oxo-ethyl]-dimethyl-pentyl-ammonium dibromide CAS Name: [2-[4-[4-[4-[2-[dimethyl(pentyl)ammonio]-1-oxoethyl]phenyl]phenyl]phenyl]-2-oxoethyl]-dimethyl-pentylammonium dibromide IUPAC Name: [2-[4-[4-[4-[2-[dimethyl(pentyl)azaniumyl]acetyl]phenyl]phenyl]phenyl]-2-oxoethyl]-dimethyl-pentylazanium dibromide Traditional Name: amyl-[2-[4-[4-[4-[2-[amyl(dimethyl)ammonio]acetyl]phenyl]phenyl]phenyl]-2-keto-ethyl]-dimethyl-ammonium dibromide Formula: C36H50Br2N2O2 MolecularWeight: 702.6024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(C)CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+](C)(C)CCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCC[N+](C)(C)CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+](C)(C)CCCCC.[Br-].[Br-]

InChI

InChI=1S/C36H50N2O2.2BrH/c1-7-9-11-25-37(3,4)27-35(39)33-21-17-31(18-22-33)29-13-15-30(16-14-29)32-19-23-34(24-20-32)36(40)28-38(5,6)26-12-10-8-2;;/h13-24H,7-12,25-28H2,1-6H3;2*1H/q+2;;/p-2