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

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

Systemtic Name:1-[2,3-bis[(E)-octadec-9-enoxy]propyl]pyridin-1-ium
Openeye Name:1-[2,3-bis[(E)-octadec-9-enoxy]propyl]pyridin-1-ium
CAS Name:1-[2,3-bis[(E)-octadec-9-enoxy]propyl]pyridin-1-ium
IUPAC Name:1-[2,3-bis[(E)-octadec-9-enoxy]propyl]pyridin-1-ium
Traditional Name:1-[2,3-bis[(E)-octadec-9-enoxy]propyl]pyridin-1-ium
Formula: C44H80NO2+
MolecularWeight: 655.1115
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C44H80NO2/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/q+1/b19-17+,20-18+


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