1-azabicyclo[2.2.2]octan-2-yl(icosan-4-yl)azanium chloride

Systemtic Name: 1-azabicyclo[2.2.2]octan-2-yl(icosan-4-yl)azanium chloride Openeye Name: 1-propylheptadecyl(quinuclidin-2-yl)ammonium chloride CAS Name: 1-azabicyclo[2.2.2]octan-2-yl(eicosan-4-yl)ammonium chloride IUPAC Name: 1-azabicyclo[2.2.2]octan-2-yl(icosan-4-yl)azanium chloride Traditional Name: 1-propylheptadecyl(quinuclidin-2-yl)ammonium chloride Formula: C27H55ClN2 MolecularWeight: 443.192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCC)[NH2+]C1CC2CCN1CC2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCC)[NH2+]C1CC2CCN1CC2.[Cl-]

InChI

InChI=1S/C27H54N2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26(18-4-2)28-27-24-25-20-22-29(27)23-21-25;/h25-28H,3-24H2,1-2H3;1H