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

Systemtic Name: 2-[5-(phenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide Openeye Name: 2-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium bromide CAS Name: 2-[5-(phenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide IUPAC Name: 2-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium bromide Traditional Name: 2-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium bromide Formula: C15H14BrN3 MolecularWeight: 316.19576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=NN2)C3=CC=CC=[NH+]3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=NN2)C3=CC=CC=[NH+]3.[Br-]

InChI

InChI=1S/C15H13N3.BrH/c1-2-6-12(7-3-1)10-13-11-15(18-17-13)14-8-4-5-9-16-14;/h1-9,11H,10H2,(H,17,18);1H