3-[[2-(dodecylamino)-1-(3-oxidanylpropyl)pyrimidin-1-ium-4-yl]amino]propan-1-ol chloride

Systemtic Name: 3-[[2-(dodecylamino)-1-(3-oxidanylpropyl)pyrimidin-1-ium-4-yl]amino]propan-1-ol chloride Openeye Name: 3-[[2-(dodecylamino)-1-(3-hydroxypropyl)pyrimidin-1-ium-4-yl]amino]propan-1-ol chloride CAS Name: 3-[[2-(dodecylamino)-1-(3-hydroxypropyl)-4-pyrimidin-1-iumyl]amino]-1-propanol chloride IUPAC Name: 3-[[2-(dodecylamino)-1-(3-hydroxypropyl)pyrimidin-1-ium-4-yl]amino]propan-1-ol chloride Traditional Name: 3-[[1-(3-hydroxypropyl)-2-(laurylamino)pyrimidin-1-ium-4-yl]amino]propan-1-ol chloride Formula: C22H43ClN4O2 MolecularWeight: 431.05542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=[N+](C=CC(=N1)NCCCO)CCCO.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCNC1=[N+](C=CC(=N1)NCCCO)CCCO.[Cl-]

InChI

InChI=1S/C22H42N4O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-24-22-25-21(23-16-12-19-27)14-18-26(22)17-13-20-28;/h14,18,27-28H,2-13,15-17,19-20H2,1H3,(H,23,24,25);1H