2-[5-(2-cyclohexylethyl)-2-phenyl-1H-pyrazol-2-ium-3-yl]pyridine bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=CC(=[N+](N2)C3=CC=CC=C3)C4=CC=CC=N4.[Br-]

Isomeric SMILES

C1CCC(CC1)CCC2=CC(=[N+](N2)C3=CC=CC=C3)C4=CC=CC=N4.[Br-]

InChI

InChI=1S/C22H25N3.BrH/c1-3-9-18(10-4-1)14-15-19-17-22(21-13-7-8-16-23-21)25(24-19)20-11-5-2-6-12-20;/h2,5-8,11-13,16-18H,1,3-4,9-10,14-15H2;1H