2-[4-[(E)-octadec-9-enoyl]oxymorpholin-4-ium-4-yl]ethyl (E)-octadec-9-enoate

Systemtic Name: 2-[4-[(E)-octadec-9-enoyl]oxymorpholin-4-ium-4-yl]ethyl (E)-octadec-9-enoate Openeye Name: 2-[4-[(E)-octadec-9-enoyl]oxymorpholin-4-ium-4-yl]ethyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 2-[4-[(E)-1-oxooctadec-9-enoxy]-4-morpholin-4-iumyl]ethyl ester IUPAC Name: 2-[4-[(E)-octadec-9-enoyl]oxymorpholin-4-ium-4-yl]ethyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 2-[4-[(E)-octadec-9-enoyl]oxymorpholin-4-ium-4-yl]ethyl ester Formula: C42H78NO5+ MolecularWeight: 677.07242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC[N+]1(CCOCC1)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC[N+]1(CCOCC1)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H78NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)47-40-37-43(35-38-46-39-36-43)48-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-40H2,1-2H3/q+1/b19-17+,20-18+