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

Systemtic Name: 2-[3-[2-phenyl-5-(phenylmethyl)pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone chloride Openeye Name: 2-[3-(5-benzyl-2-phenyl-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone chloride CAS Name: 2-[3-[2-phenyl-5-(phenylmethyl)-3-pyrazolyl]-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone chloride IUPAC Name: 2-[3-(5-benzyl-2-phenylpyrazol-3-yl)pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone chloride Traditional Name: 2-[3-(5-benzyl-2-phenyl-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone chloride Formula: C27H22ClN3OS MolecularWeight: 472.00108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=C2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=C2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C27H22N3OS.ClH/c31-26(27-14-8-16-32-27)20-29-15-7-11-22(19-29)25-18-23(17-21-9-3-1-4-10-21)28-30(25)24-12-5-2-6-13-24;/h1-16,18-19H,17,20H2;1H/q+1;/p-1