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4-docosyl-1-azabicyclo[2.2.2]octane; methylazanium; chloride

4-docosyl-1-azabicyclo[2.2.2]octane; methylazanium; chloride

Systemtic Name:4-docosyl-1-azabicyclo[2.2.2]octane; methylazanium; chloride
Openeye Name:4-docosylquinuclidine; methylammonium; chloride
CAS Name:4-docosyl-1-azabicyclo[2.2.2]octane; methylammonium; chloride
IUPAC Name:4-docosyl-1-azabicyclo[2.2.2]octane; methylazanium; chloride
Traditional Name:4-behenylquinuclidine; methylammonium; chloride
Formula: C30H63ClN2
MolecularWeight: 487.28762
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC12CCN(CC1)CC2.C[NH3+].[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC12CCN(CC1)CC2.C[NH3+].[Cl-]


InChI

InChI=1S/C29H57N.CH5N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-23-26-30(27-24-29)28-25-29;1-2;/h2-28H2,1H3;2H2,1H3;1H


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