2-[[4-(dihexylamino)-1-methyl-pyrimidin-1-ium-2-yl]amino]ethanol bromide

Systemtic Name: 2-[[4-(dihexylamino)-1-methyl-pyrimidin-1-ium-2-yl]amino]ethanol bromide Openeye Name: 2-[[4-(dihexylamino)-1-methyl-pyrimidin-1-ium-2-yl]amino]ethanol bromide CAS Name: 2-[[4-(dihexylamino)-1-methyl-2-pyrimidin-1-iumyl]amino]ethanol bromide IUPAC Name: 2-[[4-(dihexylamino)-1-methylpyrimidin-1-ium-2-yl]amino]ethanol bromide Traditional Name: 2-[[4-(dihexylamino)-1-methyl-pyrimidin-1-ium-2-yl]amino]ethanol bromide Formula: C19H37BrN4O MolecularWeight: 417.42728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=NC(=[N+](C=C1)C)NCCO.[Br-]

Isomeric SMILES

CCCCCCN(CCCCCC)C1=NC(=[N+](C=C1)C)NCCO.[Br-]

InChI

InChI=1S/C19H36N4O.BrH/c1-4-6-8-10-14-23(15-11-9-7-5-2)18-12-16-22(3)19(21-18)20-13-17-24;/h12,16,24H,4-11,13-15,17H2,1-3H3;1H