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

Systemtic Name: 2-[5-[1-(3-cyclohexylphenyl)ethyl]-1H-pyrazol-3-yl]pyridin-1-ium bromide Openeye Name: 2-[5-[1-(3-cyclohexylphenyl)ethyl]-1H-pyrazol-3-yl]pyridin-1-ium bromide CAS Name: 2-[5-[1-(3-cyclohexylphenyl)ethyl]-1H-pyrazol-3-yl]pyridin-1-ium bromide IUPAC Name: 2-[5-[1-(3-cyclohexylphenyl)ethyl]-1H-pyrazol-3-yl]pyridin-1-ium bromide Traditional Name: 2-[5-[1-(3-cyclohexylphenyl)ethyl]-1H-pyrazol-3-yl]pyridin-1-ium bromide Formula: C22H26BrN3 MolecularWeight: 412.36594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C2CCCCC2)C3=CC(=NN3)C4=CC=CC=[NH+]4.[Br-]

Isomeric SMILES

CC(C1=CC=CC(=C1)C2CCCCC2)C3=CC(=NN3)C4=CC=CC=[NH+]4.[Br-]

InChI

InChI=1S/C22H25N3.BrH/c1-16(21-15-22(25-24-21)20-12-5-6-13-23-20)18-10-7-11-19(14-18)17-8-3-2-4-9-17;/h5-7,10-17H,2-4,8-9H2,1H3,(H,24,25);1H