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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H72N2O6/c1-7-10-12-14-16-18-20-22-24-29-33-42(34-30-25-23-21-19-17-15-13-11-8-2)41(39(47)48,38(46)36-31-27-26-28-32-36)40(49-9-3,35-37(44)45)43(4,5)6/h26-28,31-32H,7-25,29-30,33-35H2,1-6H3,(H-,44,45,47,48)/p-1