2-[4-azanyl-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-ethylphenyl)ethanone bromide

Systemtic Name: 2-[4-azanyl-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-ethylphenyl)ethanone bromide Openeye Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-ethylphenyl)ethanone bromide CAS Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-(4-ethylphenyl)ethanone bromide IUPAC Name: 2-[4-amino-5-(ethoxymethyl)-2-methylpyrimidin-1-ium-1-yl]-1-(4-ethylphenyl)ethanone bromide Traditional Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-ethylphenyl)ethanone bromide Formula: C18H24BrN3O2 MolecularWeight: 394.30606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C[N+]2=C(N=C(C(=C2)COCC)N)C.[Br-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C[N+]2=C(N=C(C(=C2)COCC)N)C.[Br-]

InChI

InChI=1S/C18H23N3O2.BrH/c1-4-14-6-8-15(9-7-14)17(22)11-21-10-16(12-23-5-2)18(19)20-13(21)3;/h6-10,19H,4-5,11-12H2,1-3H3;1H