1-[5-[phenoxy(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium chloride

Systemtic Name: 1-[5-[phenoxy(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium chloride Openeye Name: 1-[5-[phenoxy(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium chloride CAS Name: 1-[5-[phenoxy(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium chloride IUPAC Name: 1-[5-[phenoxy(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium chloride Traditional Name: 1-[5-[phenoxy(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium chloride Formula: C21H18ClN3O MolecularWeight: 363.84012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC(=NN2)[N+]3=CC=CC=C3)OC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC(=NN2)[N+]3=CC=CC=C3)OC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H18N3O.ClH/c1-4-10-17(11-5-1)21(25-18-12-6-2-7-13-18)19-16-20(23-22-19)24-14-8-3-9-15-24;/h1-16,21H,(H,22,23);1H/q+1;/p-1