1-[1,2-bis[(E)-octadec-9-enoxy]propan-2-yl]-1-azoniabicyclo[2.2.2]octane

Systemtic Name: 1-[1,2-bis[(E)-octadec-9-enoxy]propan-2-yl]-1-azoniabicyclo[2.2.2]octane Openeye Name: 1-[1-methyl-1,2-bis[(E)-octadec-9-enoxy]ethyl]quinuclidin-1-ium CAS Name: 1-[1,2-bis[(E)-octadec-9-enoxy]propan-2-yl]-1-azoniabicyclo[2.2.2]octane IUPAC Name: 1-[1,2-bis[(E)-octadec-9-enoxy]propan-2-yl]-1-azoniabicyclo[2.2.2]octane Traditional Name: 1-[1-methyl-1,2-bis[(E)-octadec-9-enoxy]ethyl]quinuclidin-1-ium Formula: C46H88NO2+ MolecularWeight: 687.19642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(C)([N+]12CCC(CC1)CC2)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(C)([N+]12CCC(CC1)CC2)OCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H88NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42-48-44-46(3,47-39-36-45(37-40-47)38-41-47)49-43-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,45H,4-17,22-44H2,1-3H3/q+1/b20-18+,21-19+