[2-[(E)-heptadec-8-enoyl]oxy-3-(4-methylmorpholin-4-ium-4-yl)propyl] (E)-heptadec-8-enoate

Systemtic Name: [2-[(E)-heptadec-8-enoyl]oxy-3-(4-methylmorpholin-4-ium-4-yl)propyl] (E)-heptadec-8-enoate Openeye Name: [2-[(E)-heptadec-8-enoyl]oxy-3-(4-methylmorpholin-4-ium-4-yl)propyl] (E)-heptadec-8-enoate CAS Name: (E)-8-heptadecenoic acid [3-(4-methyl-4-morpholin-4-iumyl)-2-[(E)-1-oxoheptadec-8-enoxy]propyl] ester IUPAC Name: [2-[(E)-heptadec-8-enoyl]oxy-3-(4-methylmorpholin-4-ium-4-yl)propyl] (E)-heptadec-8-enoate Traditional Name: (E)-heptadec-8-enoic acid [2-[(E)-heptadec-8-enoyl]oxy-3-(4-methylmorpholin-4-ium-4-yl)propyl] ester Formula: C42H78NO5+ MolecularWeight: 677.07242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H78NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-41(44)47-39-40(38-43(3)34-36-46-37-35-43)48-42(45)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,40H,4-17,22-39H2,1-3H3/q+1/b20-18+,21-19+