2-[3-(phenylmethyl)-5-pyridin-1-ium-1-yl-pyrazol-1-yl]pyridine bromide

Systemtic Name: 2-[3-(phenylmethyl)-5-pyridin-1-ium-1-yl-pyrazol-1-yl]pyridine bromide Openeye Name: 2-(3-benzyl-5-pyridin-1-ium-1-yl-pyrazol-1-yl)pyridine bromide CAS Name: 2-[3-(phenylmethyl)-5-(1-pyridin-1-iumyl)-1-pyrazolyl]pyridine bromide IUPAC Name: 2-(3-benzyl-5-pyridin-1-ium-1-ylpyrazol-1-yl)pyridine bromide Traditional Name: 2-(3-benzyl-5-pyridin-1-ium-1-yl-pyrazol-1-yl)pyridine bromide Formula: C20H17BrN4 MolecularWeight: 393.27978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=C2)[N+]3=CC=CC=C3)C4=CC=CC=N4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=C2)[N+]3=CC=CC=C3)C4=CC=CC=N4.[Br-]

InChI

InChI=1S/C20H17N4.BrH/c1-3-9-17(10-4-1)15-18-16-20(23-13-7-2-8-14-23)24(22-18)19-11-5-6-12-21-19;/h1-14,16H,15H2;1H/q+1;/p-1