2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride

Systemtic Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride Openeye Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride CAS Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]-1-phenylethanone chloride IUPAC Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenylethanone chloride Traditional Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride Formula: C24H28ClN3O MolecularWeight: 409.95162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CCC(CC1)CCC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H28N3O.ClH/c28-24(20-10-5-2-6-11-20)18-27-15-7-12-21(17-27)23-16-22(25-26-23)14-13-19-8-3-1-4-9-19;/h2,5-7,10-12,15-17,19H,1,3-4,8-9,13-14,18H2,(H,25,26);1H/q+1;/p-1