bis[2-[4-(4-hexylphenyl)carbonylphenyl]carbonyloxyethyl]-dimethyl-azanium bromide

Systemtic Name: bis[2-[4-(4-hexylphenyl)carbonylphenyl]carbonyloxyethyl]-dimethyl-azanium bromide Openeye Name: bis[2-[4-(4-hexylbenzoyl)benzoyl]oxyethyl]-dimethyl-ammonium bromide CAS Name: bis[2-[[4-[(4-hexylphenyl)-oxomethyl]phenyl]-oxomethoxy]ethyl]-dimethylammonium bromide IUPAC Name: bis[2-[4-(4-hexylbenzoyl)benzoyl]oxyethyl]-dimethylazanium bromide Traditional Name: bis[2-[4-(4-hexylbenzoyl)benzoyl]oxyethyl]-dimethyl-ammonium bromide Formula: C46H56BrNO6 MolecularWeight: 798.84394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OCC[N+](C)(C)CCOC(=O)C3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)CCCCCC.[Br-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OCC[N+](C)(C)CCOC(=O)C3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)CCCCCC.[Br-]

InChI

InChI=1S/C46H56NO6.BrH/c1-5-7-9-11-13-35-15-19-37(20-16-35)43(48)39-23-27-41(28-24-39)45(50)52-33-31-47(3,4)32-34-53-46(51)42-29-25-40(26-30-42)44(49)38-21-17-36(18-22-38)14-12-10-8-6-2;/h15-30H,5-14,31-34H2,1-4H3;1H/q+1;/p-1