[5-[3-(2-hydroxyethyl)-2-methyl-pyridin-1-ium-1-yl]-2-methyl-pyrimidin-4-yl]azanium dibromide

Systemtic Name: [5-[3-(2-hydroxyethyl)-2-methyl-pyridin-1-ium-1-yl]-2-methyl-pyrimidin-4-yl]azanium dibromide Openeye Name: [5-[3-(2-hydroxyethyl)-2-methyl-pyridin-1-ium-1-yl]-2-methyl-pyrimidin-4-yl]ammonium dibromide CAS Name: [5-[3-(2-hydroxyethyl)-2-methyl-1-pyridin-1-iumyl]-2-methyl-4-pyrimidinyl]ammonium dibromide IUPAC Name: [5-[3-(2-hydroxyethyl)-2-methylpyridin-1-ium-1-yl]-2-methylpyrimidin-4-yl]azanium dibromide Traditional Name: [5-[3-(2-hydroxyethyl)-2-methyl-pyridin-1-ium-1-yl]-2-methyl-pyrimidin-4-yl]ammonium dibromide Formula: C13H18Br2N4O MolecularWeight: 406.11622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=[N+]1C2=CN=C(N=C2[NH3+])C)CCO.[Br-].[Br-]

Isomeric SMILES

CC1=C(C=CC=[N+]1C2=CN=C(N=C2[NH3+])C)CCO.[Br-].[Br-]

InChI

InChI=1S/C13H17N4O.2BrH/c1-9-11(5-7-18)4-3-6-17(9)12-8-15-10(2)16-13(12)14;;/h3-4,6,8,18H,5,7H2,1-2H3,(H2,14,15,16);2*1H/q+1;;/p-1