1-phenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone chloride hydrochloride

Systemtic Name: 1-phenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone chloride hydrochloride Openeye Name: 1-phenyl-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethanone chloride hydrochloride CAS Name: 1-phenyl-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)ethanone chloride hydrochloride IUPAC Name: 1-phenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone chloride hydrochloride Traditional Name: 1-phenyl-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethanone chloride hydrochloride Formula: C18H16Cl2N2O MolecularWeight: 347.23844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=CC=NC=C3.Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=CC=NC=C3.Cl.[Cl-]

InChI

InChI=1S/C18H15N2O.2ClH/c21-18(17-4-2-1-3-5-17)14-20-12-8-16(9-13-20)15-6-10-19-11-7-15;;/h1-13H,14H2;2*1H/q+1;;/p-1