[2-acetyloxy-4-[2-[4-azanyl-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]ethanoyl]phenyl] ethanoate bromide

Systemtic Name: [2-acetyloxy-4-[2-[4-azanyl-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]ethanoyl]phenyl] ethanoate bromide Openeye Name: [2-acetoxy-4-[2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]acetyl]phenyl] acetate bromide CAS Name: acetic acid [2-acetyloxy-4-[2-[4-amino-5-(ethoxymethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-oxoethyl]phenyl] ester bromide IUPAC Name: [2-acetyloxy-4-[2-[4-amino-5-(ethoxymethyl)-2-methylpyrimidin-1-ium-1-yl]acetyl]phenyl] acetate bromide Traditional Name: acetic acid [2-acetoxy-4-[2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]acetyl]phenyl] ester bromide Formula: C20H24BrN3O6 MolecularWeight: 482.32506

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C[N+](=C(N=C1N)C)CC(=O)C2=CC(=C(C=C2)OC(=O)C)OC(=O)C.[Br-]

Isomeric SMILES

CCOCC1=C[N+](=C(N=C1N)C)CC(=O)C2=CC(=C(C=C2)OC(=O)C)OC(=O)C.[Br-]

InChI

InChI=1S/C20H23N3O6.BrH/c1-5-27-11-16-9-23(12(2)22-20(16)21)10-17(26)15-6-7-18(28-13(3)24)19(8-15)29-14(4)25;/h6-9,21H,5,10-11H2,1-4H3;1H