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

Systemtic Name: 1-phenyl-2-[3-[5-(thiophen-2-ylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone chloride Openeye Name: 1-phenyl-2-[3-[5-(2-thienylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone chloride CAS Name: 1-phenyl-2-[3-[5-(thiophen-2-ylmethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]ethanone chloride IUPAC Name: 1-phenyl-2-[3-[5-(thiophen-2-ylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone chloride Traditional Name: 1-phenyl-2-[3-[5-(2-thenyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone chloride Formula: C21H18ClN3OS MolecularWeight: 395.90512

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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)CC4=CC=CS4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)CC4=CC=CS4.[Cl-]

InChI

InChI=1S/C21H18N3OS.ClH/c25-21(16-6-2-1-3-7-16)15-24-10-4-8-17(14-24)20-13-18(22-23-20)12-19-9-5-11-26-19;/h1-11,13-14H,12,15H2,(H,22,23);1H/q+1;/p-1