dimethyl-bis[2-[[(E)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]amino]ethyl]azanium iodide

Systemtic Name: dimethyl-bis[2-[[(E)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]amino]ethyl]azanium iodide Openeye Name: dimethyl-bis[2-[[(E)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]amino]ethyl]ammonium iodide CAS Name: dimethyl-bis[2-[[(E)-1-oxo-11-(3-pentyl-2-oxiranyl)undec-9-enyl]amino]ethyl]ammonium iodide IUPAC Name: dimethyl-bis[2-[[(E)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]amino]ethyl]azanium iodide Traditional Name: bis[2-[[(E)-11-(3-amyloxiran-2-yl)undec-9-enoyl]amino]ethyl]-dimethyl-ammonium iodide Formula: C42H78IN3O4 MolecularWeight: 815.99089

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(O1)CC=CCCCCCCCC(=O)NCC[N+](C)(C)CCNC(=O)CCCCCCCC=CCC2C(O2)CCCCC.[I-]

Isomeric SMILES

CCCCCC1OC1C/C=C/CCCCCCCC(=O)NCC[N+](CCNC(=O)CCCCCCC/C=C/CC2OC2CCCCC)(C)C.[I-]

InChI

InChI=1S/C42H77N3O4.HI/c1-5-7-21-27-37-39(48-37)29-23-17-13-9-11-15-19-25-31-41(46)43-33-35-45(3,4)36-34-44-42(47)32-26-20-16-12-10-14-18-24-30-40-38(49-40)28-22-8-6-2;/h17-18,23-24,37-40H,5-16,19-22,25-36H2,1-4H3,(H-,43,44,46,47);1H/b23-17+,24-18+;