2-[[4-(dodecylamino)-1-(2-methylprop-2-enyl)pyrimidin-1-ium-2-yl]amino]ethanol chloride

Systemtic Name: 2-[[4-(dodecylamino)-1-(2-methylprop-2-enyl)pyrimidin-1-ium-2-yl]amino]ethanol chloride Openeye Name: 2-[[4-(dodecylamino)-1-(2-methylallyl)pyrimidin-1-ium-2-yl]amino]ethanol chloride CAS Name: 2-[[4-(dodecylamino)-1-(2-methylprop-2-enyl)-2-pyrimidin-1-iumyl]amino]ethanol chloride IUPAC Name: 2-[[4-(dodecylamino)-1-(2-methylprop-2-enyl)pyrimidin-1-ium-2-yl]amino]ethanol chloride Traditional Name: 2-[[4-(laurylamino)-1-(2-methylallyl)pyrimidin-1-ium-2-yl]amino]ethanol chloride Formula: C22H41ClN4O MolecularWeight: 413.04014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=NC(=[N+](C=C1)CC(=C)C)NCCO.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCNC1=NC(=[N+](C=C1)CC(=C)C)NCCO.[Cl-]

InChI

InChI=1S/C22H40N4O.ClH/c1-4-5-6-7-8-9-10-11-12-13-15-23-21-14-17-26(19-20(2)3)22(25-21)24-16-18-27;/h14,17,27H,2,4-13,15-16,18-19H2,1,3H3,(H,23,24,25);1H