3-[2,4-bis(hexylamino)pyrimidin-1-ium-1-yl]propan-1-ol bromide

Systemtic Name: 3-[2,4-bis(hexylamino)pyrimidin-1-ium-1-yl]propan-1-ol bromide Openeye Name: 3-[2,4-bis(hexylamino)pyrimidin-1-ium-1-yl]propan-1-ol bromide CAS Name: 3-[2,4-bis(hexylamino)-1-pyrimidin-1-iumyl]-1-propanol bromide IUPAC Name: 3-[2,4-bis(hexylamino)pyrimidin-1-ium-1-yl]propan-1-ol bromide Traditional Name: 3-[2,4-bis(hexylamino)pyrimidin-1-ium-1-yl]propan-1-ol bromide Formula: C19H37BrN4O MolecularWeight: 417.42728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC(=[N+](C=C1)CCCO)NCCCCCC.[Br-]

Isomeric SMILES

CCCCCCNC1=NC(=[N+](C=C1)CCCO)NCCCCCC.[Br-]

InChI

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