1-methyl-3-(phenylmethyl)pyrimidin-1-ium-2-one iodide

Systemtic Name: 1-methyl-3-(phenylmethyl)pyrimidin-1-ium-2-one iodide Openeye Name: 1-benzyl-3-methyl-pyrimidin-3-ium-2-one iodide CAS Name: 1-methyl-3-(phenylmethyl)-2-pyrimidin-1-iumone iodide IUPAC Name: 1-benzyl-3-methylpyrimidin-3-ium-2-one iodide Traditional Name: 1-benzyl-3-methyl-pyrimidin-3-ium-2-one iodide Formula: C12H13IN2O MolecularWeight: 328.14889

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CN(C1=O)CC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1=CC=CN(C1=O)CC2=CC=CC=C2.[I-]

InChI

InChI=1S/C12H13N2O.HI/c1-13-8-5-9-14(12(13)15)10-11-6-3-2-4-7-11;/h2-9H,10H2,1H3;1H/q+1;/p-1