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

Systemtic Name: 2-[3-bromanyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone chloride Openeye Name: 2-[3-bromo-5-(5-phenyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone chloride CAS Name: 2-[3-bromo-5-(5-phenyl-1H-pyrazol-3-yl)-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone chloride IUPAC Name: 2-[3-bromo-5-(5-phenyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone chloride Traditional Name: 2-[3-bromo-5-(5-phenyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone chloride Formula: C20H15BrClN3OS MolecularWeight: 460.7746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2)C3=CC(=C[N+](=C3)CC(=O)C4=CC=CS4)Br.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2)C3=CC(=C[N+](=C3)CC(=O)C4=CC=CS4)Br.[Cl-]

InChI

InChI=1S/C20H15BrN3OS.ClH/c21-16-9-15(11-24(12-16)13-19(25)20-7-4-8-26-20)18-10-17(22-23-18)14-5-2-1-3-6-14;/h1-12H,13H2,(H,22,23);1H/q+1;/p-1