2-[2-(5-methoxypyridin-1-ium-3-yl)ethynyl]pyrimidin-1-ium dichloride

Systemtic Name: 2-[2-(5-methoxypyridin-1-ium-3-yl)ethynyl]pyrimidin-1-ium dichloride Openeye Name: 2-[2-(5-methoxypyridin-1-ium-3-yl)ethynyl]pyrimidin-1-ium dichloride CAS Name: 2-[2-(5-methoxy-3-pyridin-1-iumyl)ethynyl]pyrimidin-1-ium dichloride IUPAC Name: 2-[2-(5-methoxypyridin-1-ium-3-yl)ethynyl]pyrimidin-1-ium dichloride Traditional Name: 2-[2-(5-methoxypyridin-1-ium-3-yl)ethynyl]pyrimidin-1-ium dichloride Formula: C12H11Cl2N3O MolecularWeight: 284.14124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C[NH+]=CC(=C1)C#CC2=NC=CC=[NH+]2.[Cl-].[Cl-]

Isomeric SMILES

COC1=C[NH+]=CC(=C1)C#CC2=NC=CC=[NH+]2.[Cl-].[Cl-]

InChI

InChI=1S/C12H9N3O.2ClH/c1-16-11-7-10(8-13-9-11)3-4-12-14-5-2-6-15-12;;/h2,5-9H,1H3;2*1H