1-phenyl-2-[3-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanone chloride

Systemtic Name: 1-phenyl-2-[3-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanone chloride Openeye Name: 1-phenyl-2-[3-[5-(2-thienyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone chloride CAS Name: 1-phenyl-2-[3-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-pyridin-1-iumyl]ethanone chloride IUPAC Name: 1-phenyl-2-[3-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanone chloride Traditional Name: 1-phenyl-2-[3-[5-(2-thienyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone chloride Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)C4=CC=CS4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)C4=CC=CS4.[Cl-]

InChI

InChI=1S/C20H16N3OS.ClH/c24-19(15-6-2-1-3-7-15)14-23-10-4-8-16(13-23)17-12-18(22-21-17)20-9-5-11-25-20;/h1-13H,14H2,(H,21,22);1H/q+1;/p-1