[(2R)-2-hexadecanoyloxy-3-pyridin-1-ium-1-yl-propyl] (Z)-octadec-9-enoate iodide

Systemtic Name: [(2R)-2-hexadecanoyloxy-3-pyridin-1-ium-1-yl-propyl] (Z)-octadec-9-enoate iodide Openeye Name: [(2R)-2-hexadecanoyloxy-3-pyridin-1-ium-1-yl-propyl] (Z)-octadec-9-enoate iodide CAS Name: (Z)-9-octadecenoic acid [(2R)-2-(1-oxohexadecoxy)-3-(1-pyridin-1-iumyl)propyl] ester iodide IUPAC Name: [(2R)-2-hexadecanoyloxy-3-pyridin-1-ium-1-ylpropyl] (Z)-octadec-9-enoate iodide Traditional Name: (Z)-octadec-9-enoic acid [(2R)-2-hexadecanoyloxy-3-pyridin-1-ium-1-yl-propyl] ester iodide Formula: C42H74INO4 MolecularWeight: 783.94573

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C[N+]1=CC=CC=C1)COC(=O)CCCCCCCC=CCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H](C[N+]1=CC=CC=C1)COC(=O)CCCCCCC/C=C\CCCCCCCC.[I-]

InChI

InChI=1S/C42H74NO4.HI/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-30-34-41(44)46-39-40(38-43-36-32-29-33-37-43)47-42(45)35-31-28-26-24-22-19-16-14-12-10-8-6-4-2;/h17-18,29,32-33,36-37,40H,3-16,19-28,30-31,34-35,38-39H2,1-2H3;1H/q+1;/p-1/b18-17-;/t40-;/m1./s1