1-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazol-3-yl]pyridin-1-ium bromide

Systemtic Name: 1-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazol-3-yl]pyridin-1-ium bromide Openeye Name: 1-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazol-3-yl]pyridin-1-ium bromide CAS Name: 1-[2-[2-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-3-pyrazolyl]pyridin-1-ium bromide IUPAC Name: 1-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazol-3-yl]pyridin-1-ium bromide Traditional Name: 1-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazol-3-yl]pyridin-1-ium bromide Formula: C20H20BrN5 MolecularWeight: 410.3103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC=C2N3C(=CC=N3)[N+]4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC=C2N3C(=CC=N3)[N+]4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C20H20N5.BrH/c1-16-14-17(2)24(22-16)15-18-8-4-5-9-19(18)25-20(10-11-21-25)23-12-6-3-7-13-23;/h3-14H,15H2,1-2H3;1H/q+1;/p-1