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

Systemtic Name: 2-[2-[[(4S)-4-carbonobromidoyl-1-oxidanyl-1-oxidanylidene-hexadecan-4-yl]-dodecyl-carbamoyl]phenoxy]ethyl-trimethyl-azanium Openeye Name: 2-[2-[[(1S)-1-bromocarbonyl-1-(2-carboxyethyl)tridecyl]-dodecyl-carbamoyl]phenoxy]ethyl-trimethyl-ammonium CAS Name: 2-[2-[[[(4S)-4-carbonobromidoyl-1-hydroxy-1-oxohexadecan-4-yl]-dodecylamino]-oxomethyl]phenoxy]ethyl-trimethylammonium IUPAC Name: 2-[2-[[(4S)-4-carbonobromidoyl-1-hydroxy-1-oxohexadecan-4-yl]-dodecylcarbamoyl]phenoxy]ethyl-trimethylazanium Traditional Name: 2-[2-[[(1S)-1-bromocarbonyl-1-(2-carboxyethyl)tridecyl]-lauryl-carbamoyl]phenoxy]ethyl-trimethyl-ammonium Formula: C41H72BrN2O5+ MolecularWeight: 752.92478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H71BrN2O5/c1-6-8-10-12-14-16-18-20-22-26-31-41(40(42)48,32-30-38(45)46)43(33-27-23-21-19-17-15-13-11-9-7-2)39(47)36-28-24-25-29-37(36)49-35-34-44(3,4)5/h24-25,28-29H,6-23,26-27,30-35H2,1-5H3/p+1/t41-/m0/s1