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

Systemtic Name: 2-[4-azanyl-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[4-amino-5-(ethoxymethyl)-2-methylpyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Formula: C17H22N3O3+ MolecularWeight: 316.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-4-23-11-14-9-20(12(2)19-17(14)18)10-16(21)13-5-7-15(22-3)8-6-13/h5-9,18H,4,10-11H2,1-3H3/p+1