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

Systemtic Name: 2-[4-azanyl-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[4-amino-5-(ethoxymethyl)-2-methylpyrimidin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[4-amino-5-(ethoxymethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2/c1-3-21-11-14-9-19(12(2)18-16(14)17)10-15(20)13-7-5-4-6-8-13/h4-9,17H,3,10-11H2,1-2H3/p+1