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

Systemtic Name: 2-[4-azanyl-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-chlorophenyl)ethanone Openeye Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-chlorophenyl)ethanone CAS Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-(4-chlorophenyl)ethanone IUPAC Name: 2-[4-amino-5-(ethoxymethyl)-2-methylpyrimidin-1-ium-1-yl]-1-(4-chlorophenyl)ethanone Traditional Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-(4-chlorophenyl)ethanone Formula: C16H19ClN3O2+ MolecularWeight: 320.79396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O2/c1-3-22-10-13-8-20(11(2)19-16(13)18)9-15(21)12-4-6-14(17)7-5-12/h4-8,18H,3,9-10H2,1-2H3/p+1