dimethyl-bis[2-[[(E)-12-oxidanyl-13-prop-2-enoyloxy-octadec-9-enoyl]amino]ethyl]azanium iodide

Systemtic Name: dimethyl-bis[2-[[(E)-12-oxidanyl-13-prop-2-enoyloxy-octadec-9-enoyl]amino]ethyl]azanium iodide Openeye Name: bis[2-[[(E)-12-hydroxy-13-prop-2-enoyloxy-octadec-9-enoyl]amino]ethyl]-dimethyl-ammonium iodide CAS Name: bis[2-[[(E)-12-hydroxy-1-oxo-13-(1-oxoprop-2-enoxy)octadec-9-enyl]amino]ethyl]-dimethylammonium iodide IUPAC Name: bis[2-[[(E)-12-hydroxy-13-prop-2-enoyloxyoctadec-9-enoyl]amino]ethyl]-dimethylazanium iodide Traditional Name: bis[2-[[(E)-13-acryloyloxy-12-hydroxy-octadec-9-enoyl]amino]ethyl]-dimethyl-ammonium iodide Formula: C48H86IN3O8 MolecularWeight: 960.11621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC=CCCCCCCCC(=O)NCC[N+](C)(C)CCNC(=O)CCCCCCCC=CCC(C(CCCCC)OC(=O)C=C)O)O)OC(=O)C=C.[I-]

Isomeric SMILES

CCCCCC(OC(=O)C=C)C(O)C/C=C/CCCCCCCC(=O)NCC[N+](CCNC(=O)CCCCCCC/C=C/CC(O)C(OC(=O)C=C)CCCCC)(C)C.[I-]

InChI

InChI=1S/C48H85N3O8.HI/c1-7-11-25-33-43(58-47(56)9-3)41(52)31-27-21-17-13-15-19-23-29-35-45(54)49-37-39-51(5,6)40-38-50-46(55)36-30-24-20-16-14-18-22-28-32-42(53)44(34-26-12-8-2)59-48(57)10-4;/h9-10,21-22,27-28,41-44,52-53H,3-4,7-8,11-20,23-26,29-40H2,1-2,5-6H3,(H-,49,50,54,55);1H/b27-21+,28-22+;