2-[2-[phenoxy(phenyl)methyl]-1H-pyrazol-2-ium-3-yl]pyridine chloride

Systemtic Name: 2-[2-[phenoxy(phenyl)methyl]-1H-pyrazol-2-ium-3-yl]pyridine chloride Openeye Name: 2-[2-[phenoxy(phenyl)methyl]-1H-pyrazol-2-ium-3-yl]pyridine chloride CAS Name: 2-[2-[phenoxy(phenyl)methyl]-1H-pyrazol-2-ium-3-yl]pyridine chloride IUPAC Name: 2-[2-[phenoxy(phenyl)methyl]-1H-pyrazol-2-ium-3-yl]pyridine chloride Traditional Name: 2-[2-[phenoxy(phenyl)methyl]-1H-pyrazol-2-ium-3-yl]pyridine chloride Formula: C21H18ClN3O MolecularWeight: 363.84012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C([N+]2=C(C=CN2)C3=CC=CC=N3)OC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C([N+]2=C(C=CN2)C3=CC=CC=N3)OC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H17N3O.ClH/c1-3-9-17(10-4-1)21(25-18-11-5-2-6-12-18)24-20(14-16-23-24)19-13-7-8-15-22-19;/h1-16,21H;1H