2-[[4-(dodecylamino)-1,6-dimethyl-pyrimidin-1-ium-2-yl]amino]ethanol ethanoate

Systemtic Name: 2-[[4-(dodecylamino)-1,6-dimethyl-pyrimidin-1-ium-2-yl]amino]ethanol ethanoate Openeye Name: 2-[[4-(dodecylamino)-1,6-dimethyl-pyrimidin-1-ium-2-yl]amino]ethanol acetate CAS Name: 2-[[4-(dodecylamino)-1,6-dimethyl-2-pyrimidin-1-iumyl]amino]ethanol acetate IUPAC Name: 2-[[4-(dodecylamino)-1,6-dimethylpyrimidin-1-ium-2-yl]amino]ethanol acetate Traditional Name: 2-[[4-(laurylamino)-1,6-dimethyl-pyrimidin-1-ium-2-yl]amino]ethanol acetate Formula: C22H42N4O3 MolecularWeight: 410.59388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38N4O.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-21-19-17-18(2)24(3)20(23-19)22-15-16-25;1-2(3)4/h17,25H,4-16H2,1-3H3,(H,21,22,23);1H3,(H,3,4)