1-[2,3-bis[(E)-octadec-9-enoxy]propyl]pyridin-1-ium iodide

Systemtic Name: 1-[2,3-bis[(E)-octadec-9-enoxy]propyl]pyridin-1-ium iodide Openeye Name: 1-[2,3-bis[(E)-octadec-9-enoxy]propyl]pyridin-1-ium iodide CAS Name: 1-[2,3-bis[(E)-octadec-9-enoxy]propyl]pyridin-1-ium iodide IUPAC Name: 1-[2,3-bis[(E)-octadec-9-enoxy]propyl]pyridin-1-ium iodide Traditional Name: 1-[2,3-bis[(E)-octadec-9-enoxy]propyl]pyridin-1-ium iodide Formula: C44H80INO2 MolecularWeight: 782.01597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(C[N+]1=CC=CC=C1)OCCCCCCCCC=CCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(C[N+]1=CC=CC=C1)OCCCCCCCC/C=C/CCCCCCCC.[I-]

InChI

InChI=1S/C44H80NO2.HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-46-43-44(42-45-38-34-33-35-39-45)47-41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,33-35,38-39,44H,3-16,21-32,36-37,40-43H2,1-2H3;1H/q+1;/p-1/b19-17+,20-18+;