[1-[(E)-heptadec-8-enoxy]-3-(4-methylmorpholin-4-ium-4-yl)propan-2-yl] (E)-octadec-9-enoate

Systemtic Name: [1-[(E)-heptadec-8-enoxy]-3-(4-methylmorpholin-4-ium-4-yl)propan-2-yl] (E)-octadec-9-enoate Openeye Name: [1-[[(E)-heptadec-8-enoxy]methyl]-2-(4-methylmorpholin-4-ium-4-yl)ethyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [1-[(E)-heptadec-8-enoxy]-3-(4-methyl-4-morpholin-4-iumyl)propan-2-yl] ester IUPAC Name: [1-[(E)-heptadec-8-enoxy]-3-(4-methylmorpholin-4-ium-4-yl)propan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [1-[[(E)-heptadec-8-enoxy]methyl]-2-(4-methylmorpholin-4-ium-4-yl)ethyl] ester Formula: C43H82NO4+ MolecularWeight: 677.11548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H82NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-43(45)48-42(40-44(3)35-38-46-39-36-44)41-47-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,42H,4-17,22-41H2,1-3H3/q+1/b20-18+,21-19+