2-[5-(diphenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide

Systemtic Name: 2-[5-(diphenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide Openeye Name: 2-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium bromide CAS Name: 2-[5-(diphenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide IUPAC Name: 2-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium bromide Traditional Name: 2-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium bromide Formula: C21H18BrN3 MolecularWeight: 392.29172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC(=NN3)C4=CC=CC=[NH+]4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC(=NN3)C4=CC=CC=[NH+]4.[Br-]

InChI

InChI=1S/C21H17N3.BrH/c1-3-9-16(10-4-1)21(17-11-5-2-6-12-17)20-15-19(23-24-20)18-13-7-8-14-22-18;/h1-15,21H,(H,23,24);1H