2-[4-[(2-dodecoxyphenyl)carbonylamino]phenyl]carbonyloxyethyl-diethyl-methyl-azanium iodide

Systemtic Name: 2-[4-[(2-dodecoxyphenyl)carbonylamino]phenyl]carbonyloxyethyl-diethyl-methyl-azanium iodide Openeye Name: 2-[4-[(2-dodecoxybenzoyl)amino]benzoyl]oxyethyl-diethyl-methyl-ammonium iodide CAS Name: 2-[[4-[[(2-dodecoxyphenyl)-oxomethyl]amino]phenyl]-oxomethoxy]ethyl-diethyl-methylammonium iodide IUPAC Name: 2-[4-[(2-dodecoxybenzoyl)amino]benzoyl]oxyethyl-diethyl-methylazanium iodide Traditional Name: diethyl-[2-[4-[(2-lauryloxybenzoyl)amino]benzoyl]oxyethyl]-methyl-ammonium iodide Formula: C33H51IN2O4 MolecularWeight: 666.67351

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC.[I-]

InChI

InChI=1S/C33H50N2O4.HI/c1-5-8-9-10-11-12-13-14-15-18-26-38-31-20-17-16-19-30(31)32(36)34-29-23-21-28(22-24-29)33(37)39-27-25-35(4,6-2)7-3;/h16-17,19-24H,5-15,18,25-27H2,1-4H3;1H