dimethyl-[2-[4-(phenylcarbonyl)phenyl]carbonyloxyethyl]-(2-tetradecanoyloxyethyl)azanium bromide

Systemtic Name: dimethyl-[2-[4-(phenylcarbonyl)phenyl]carbonyloxyethyl]-(2-tetradecanoyloxyethyl)azanium bromide Openeye Name: 2-(4-benzoylbenzoyl)oxyethyl-dimethyl-(2-tetradecanoyloxyethyl)ammonium bromide CAS Name: 2-[(4-benzoylphenyl)-oxomethoxy]ethyl-dimethyl-[2-(1-oxotetradecoxy)ethyl]ammonium bromide IUPAC Name: 2-(4-benzoylbenzoyl)oxyethyl-dimethyl-(2-tetradecanoyloxyethyl)azanium bromide Traditional Name: 2-(4-benzoylbenzoyl)oxyethyl-dimethyl-(2-tetradecanoyloxyethyl)ammonium bromide Formula: C34H50BrNO5 MolecularWeight: 632.6685

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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=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C34H50NO5.BrH/c1-4-5-6-7-8-9-10-11-12-13-17-20-32(36)39-27-25-35(2,3)26-28-40-34(38)31-23-21-30(22-24-31)33(37)29-18-15-14-16-19-29;/h14-16,18-19,21-24H,4-13,17,20,25-28H2,1-3H3;1H/q+1;/p-1