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

Systemtic Name: 2-[4-(4-hexylphenyl)carbonylphenyl]carbonyloxyethyl-dimethyl-(2-tetradecanoyloxyethyl)azanium Openeye Name: 2-[4-(4-hexylbenzoyl)benzoyl]oxyethyl-dimethyl-(2-tetradecanoyloxyethyl)ammonium CAS Name: 2-[[4-[(4-hexylphenyl)-oxomethyl]phenyl]-oxomethoxy]ethyl-dimethyl-[2-(1-oxotetradecoxy)ethyl]ammonium IUPAC Name: 2-[4-(4-hexylbenzoyl)benzoyl]oxyethyl-dimethyl-(2-tetradecanoyloxyethyl)azanium Traditional Name: 2-[4-(4-hexylbenzoyl)benzoyl]oxyethyl-dimethyl-(2-tetradecanoyloxyethyl)ammonium Formula: C40H62NO5+ MolecularWeight: 636.92398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CCCCCC

InChI

InChI=1S/C40H62NO5/c1-5-7-9-11-12-13-14-15-16-17-19-21-38(42)45-32-30-41(3,4)31-33-46-40(44)37-28-26-36(27-29-37)39(43)35-24-22-34(23-25-35)20-18-10-8-6-2/h22-29H,5-21,30-33H2,1-4H3/q+1