2-[3-[2-[(3-phenylphenyl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone chloride

Systemtic Name: 2-[3-[2-[(3-phenylphenyl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone chloride Openeye Name: 2-[3-[2-[(3-phenylphenyl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone chloride CAS Name: 2-[3-[2-[(3-phenylphenyl)methyl]-3-pyrazolyl]-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone chloride IUPAC Name: 2-[3-[2-[(3-phenylphenyl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone chloride Traditional Name: 2-[3-[2-(3-phenylbenzyl)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)C2=CC(=CC=C2)CN3C(=CC=N3)C4=C[N+](=CC=C4)CC(=O)C5=CC=CS5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)CN3C(=CC=N3)C4=C[N+](=CC=C4)CC(=O)C5=CC=CS5.[Cl-]

InChI

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