2-[2-[(4-carboxy-1-oxidanyl-1-oxidanylidene-hexadecan-4-yl)-dodecyl-carbamoyl]phenoxy]ethyl-trimethyl-azanium

Systemtic Name: 2-[2-[(4-carboxy-1-oxidanyl-1-oxidanylidene-hexadecan-4-yl)-dodecyl-carbamoyl]phenoxy]ethyl-trimethyl-azanium Openeye Name: 2-[2-[[1-carboxy-1-(2-carboxyethyl)tridecyl]-dodecyl-carbamoyl]phenoxy]ethyl-trimethyl-ammonium CAS Name: 2-[2-[[(4-carboxy-1-hydroxy-1-oxohexadecan-4-yl)-dodecylamino]-oxomethyl]phenoxy]ethyl-trimethylammonium IUPAC Name: 2-[2-[(4-carboxy-1-hydroxy-1-oxohexadecan-4-yl)-dodecylcarbamoyl]phenoxy]ethyl-trimethylazanium Traditional Name: 2-[2-[[1-carboxy-1-(2-carboxyethyl)tridecyl]-lauryl-carbamoyl]phenoxy]ethyl-trimethyl-ammonium Formula: C41H73N2O6+ MolecularWeight: 690.02812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC(=O)O)(C(=O)O)N(CCCCCCCCCCCC)C(=O)C1=CC=CC=C1OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC(CCC(=O)O)(C(=O)O)N(CCCCCCCCCCCC)C(=O)C1=CC=CC=C1OCC[N+](C)(C)C

InChI

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