3-[1-(dodecylamino)-1-(3-oxidanylpropylamino)-4H-pyrimidin-1-ium-2-yl]propan-1-ol bromide

Systemtic Name: 3-[1-(dodecylamino)-1-(3-oxidanylpropylamino)-4H-pyrimidin-1-ium-2-yl]propan-1-ol bromide Openeye Name: 3-[1-(dodecylamino)-1-(3-hydroxypropylamino)-4H-pyrimidin-1-ium-2-yl]propan-1-ol bromide CAS Name: 3-[1-(dodecylamino)-1-(3-hydroxypropylamino)-4H-pyrimidin-1-ium-2-yl]-1-propanol bromide IUPAC Name: 3-[1-(dodecylamino)-1-(3-hydroxypropylamino)-4H-pyrimidin-1-ium-2-yl]propan-1-ol bromide Traditional Name: 3-[1-(3-hydroxypropylamino)-1-(laurylamino)-4H-pyrimidin-1-ium-2-yl]propan-1-ol bromide Formula: C22H45BrN4O2 MolecularWeight: 477.5223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN[N+]1(C=CCN=C1CCCO)NCCCO.[Br-]

Isomeric SMILES

CCCCCCCCCCCCN[N+]1(C=CCN=C1CCCO)NCCCO.[Br-]

InChI

InChI=1S/C22H45N4O2.BrH/c1-2-3-4-5-6-7-8-9-10-11-17-24-26(25-18-14-21-28)19-13-16-23-22(26)15-12-20-27;/h13,19,24-25,27-28H,2-12,14-18,20-21H2,1H3;1H/q+1;/p-1