5-[[3-(2-hydroxyethyl)-2-methyl-pyridin-1-ium-1-yl]methyl]-2-methyl-1H-pyrimidin-6-one bromide

Systemtic Name: 5-[[3-(2-hydroxyethyl)-2-methyl-pyridin-1-ium-1-yl]methyl]-2-methyl-1H-pyrimidin-6-one bromide Openeye Name: 5-[[3-(2-hydroxyethyl)-2-methyl-pyridin-1-ium-1-yl]methyl]-2-methyl-1H-pyrimidin-6-one bromide CAS Name: 5-[[3-(2-hydroxyethyl)-2-methyl-1-pyridin-1-iumyl]methyl]-2-methyl-1H-pyrimidin-6-one bromide IUPAC Name: 5-[[3-(2-hydroxyethyl)-2-methylpyridin-1-ium-1-yl]methyl]-2-methyl-1H-pyrimidin-6-one bromide Traditional Name: 5-[[3-(2-hydroxyethyl)-2-methyl-pyridin-1-ium-1-yl]methyl]-2-methyl-1H-pyrimidin-6-one bromide Formula: C14H18BrN3O2 MolecularWeight: 340.21562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=[N+]1CC2=CN=C(NC2=O)C)CCO.[Br-]

Isomeric SMILES

CC1=C(C=CC=[N+]1CC2=CN=C(NC2=O)C)CCO.[Br-]

InChI

InChI=1S/C14H17N3O2.BrH/c1-10-12(5-7-18)4-3-6-17(10)9-13-8-15-11(2)16-14(13)19;/h3-4,6,8,18H,5,7,9H2,1-2H3;1H