2-(didodecylamino)-2-(phenylcarbonyl)-3-[2-(trimethylazaniumyl)ethoxy]pentanedioate

Systemtic Name: 2-(didodecylamino)-2-(phenylcarbonyl)-3-[2-(trimethylazaniumyl)ethoxy]pentanedioate Openeye Name: 2-benzoyl-2-(didodecylamino)-3-[2-(trimethylammonio)ethoxy]pentanedioate CAS Name: 2-benzoyl-2-(didodecylamino)-3-[2-(trimethylammonio)ethoxy]pentanedioate IUPAC Name: 2-benzoyl-2-(didodecylamino)-3-[2-(trimethylazaniumyl)ethoxy]pentanedioate Traditional Name: 2-benzoyl-2-(dilaurylamino)-3-[2-(trimethylammonio)ethoxy]glutarate Formula: C41H71N2O6- MolecularWeight: 688.01224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(C(CC(=O)[O-])OCC[N+](C)(C)C)(C(=O)C1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(C(CC(=O)[O-])OCC[N+](C)(C)C)(C(=O)C1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C41H72N2O6/c1-6-8-10-12-14-16-18-20-22-27-31-42(32-28-23-21-19-17-15-13-11-9-7-2)41(40(47)48,39(46)36-29-25-24-26-30-36)37(35-38(44)45)49-34-33-43(3,4)5/h24-26,29-30,37H,6-23,27-28,31-35H2,1-5H3,(H-,44,45,47,48)/p-1