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

Systemtic Name: 2-[5-[cyclohexyl-(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium bromide Openeye Name: 2-[5-[cyclohexyl-(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium bromide CAS Name: 2-[5-[cyclohexyl-(3,5-dimethyl-1-pyrazolyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium bromide IUPAC Name: 2-[5-[cyclohexyl-(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium bromide Traditional Name: 2-[5-[cyclohexyl-(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium bromide Formula: C20H26BrN5 MolecularWeight: 416.35794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C2CCCCC2)C3=CC(=NN3)C4=CC=CC=[NH+]4)C.[Br-]

Isomeric SMILES

CC1=CC(=NN1C(C2CCCCC2)C3=CC(=NN3)C4=CC=CC=[NH+]4)C.[Br-]

InChI

InChI=1S/C20H25N5.BrH/c1-14-12-15(2)25(24-14)20(16-8-4-3-5-9-16)19-13-18(22-23-19)17-10-6-7-11-21-17;/h6-7,10-13,16,20H,3-5,8-9H2,1-2H3,(H,22,23);1H