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

Systemtic Name: 1-[2,3-bis[(E)-octadec-9-enoxy]propyl]-1-methyl-pyrrolidin-1-ium Openeye Name: 1-[2,3-bis[(E)-octadec-9-enoxy]propyl]-1-methyl-pyrrolidin-1-ium CAS Name: 1-[2,3-bis[(E)-octadec-9-enoxy]propyl]-1-methylpyrrolidin-1-ium IUPAC Name: 1-[2,3-bis[(E)-octadec-9-enoxy]propyl]-1-methylpyrrolidin-1-ium Traditional Name: 1-[2,3-bis[(E)-octadec-9-enoxy]propyl]-1-methyl-pyrrolidin-1-ium Formula: C44H86NO2+ MolecularWeight: 661.15914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(C[N+]1(CCCC1)C)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(C[N+]1(CCCC1)C)OCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C44H86NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-40-46-43-44(42-45(3)38-34-35-39-45)47-41-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,44H,4-17,22-43H2,1-3H3/q+1/b20-18+,21-19+