2-[2-[dimethyl-[[4-(phenylcarbonyl)phenyl]methyl]azaniumyl]ethyl-[2-[4-(phenylcarbonyl)phenyl]ethyl]azaniumyl]ethyl-dimethyl-[[4-(phenylcarbonyl)phenyl]methyl]azanium tribromide

Systemtic Name: 2-[2-[dimethyl-[[4-(phenylcarbonyl)phenyl]methyl]azaniumyl]ethyl-[2-[4-(phenylcarbonyl)phenyl]ethyl]azaniumyl]ethyl-dimethyl-[[4-(phenylcarbonyl)phenyl]methyl]azanium tribromide Openeye Name: 2-[2-(4-benzoylphenyl)ethyl-[2-[(4-benzoylphenyl)methyl-dimethyl-ammonio]ethyl]ammonio]ethyl-[(4-benzoylphenyl)methyl]-dimethyl-ammonium tribromide CAS Name: 2-[2-(4-benzoylphenyl)ethyl-[2-[(4-benzoylphenyl)methyl-dimethylammonio]ethyl]ammonio]ethyl-[(4-benzoylphenyl)methyl]-dimethylammonium tribromide IUPAC Name: 2-[2-(4-benzoylphenyl)ethyl-[2-[(4-benzoylphenyl)methyl-dimethylazaniumyl]ethyl]azaniumyl]ethyl-[(4-benzoylphenyl)methyl]-dimethylazanium tribromide Traditional Name: (4-benzoylbenzyl)-[2-[2-[(4-benzoylbenzyl)-dimethyl-ammonio]ethyl-[2-(4-benzoylphenyl)ethyl]ammonio]ethyl]-dimethyl-ammonium tribromide Formula: C51H56Br3N3O3 MolecularWeight: 998.72064

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC[NH+](CCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)CC[N+](C)(C)CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)C6=CC=CC=C6.[Br-].[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CC[NH+](CCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)CC[N+](C)(C)CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)C6=CC=CC=C6.[Br-].[Br-].[Br-]

InChI

InChI=1S/C51H55N3O3.3BrH/c1-53(2,38-41-22-28-47(29-23-41)50(56)44-16-10-6-11-17-44)36-34-52(33-32-40-20-26-46(27-21-40)49(55)43-14-8-5-9-15-43)35-37-54(3,4)39-42-24-30-48(31-25-42)51(57)45-18-12-7-13-19-45;;;/h5-31H,32-39H2,1-4H3;3*1H/q+2;;;/p-2