[3-(4-methylmorpholin-4-ium-4-yl)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [3-(4-methylmorpholin-4-ium-4-yl)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [3-(4-methylmorpholin-4-ium-4-yl)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-(4-methyl-4-morpholin-4-iumyl)-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [3-(4-methylmorpholin-4-ium-4-yl)-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-(4-methylmorpholin-4-ium-4-yl)-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C44H82NO5+ MolecularWeight: 705.12558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H82NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-43(46)49-41-42(40-45(3)36-38-48-39-37-45)50-44(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,42H,4-17,22-41H2,1-3H3/q+1/b20-18+,21-19+