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

Systemtic Name: 2-[5-[cyclohexyl(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium chloride Openeye Name: 2-[5-[cyclohexyl(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium chloride CAS Name: 2-[5-[cyclohexyl(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium chloride IUPAC Name: 2-[5-[cyclohexyl(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium chloride Traditional Name: 2-[5-[cyclohexyl(phenyl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium chloride Formula: C21H24ClN3 MolecularWeight: 353.88836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)C3=CC(=NN3)C4=CC=CC=[NH+]4.[Cl-]

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)C3=CC(=NN3)C4=CC=CC=[NH+]4.[Cl-]

InChI

InChI=1S/C21H23N3.ClH/c1-3-9-16(10-4-1)21(17-11-5-2-6-12-17)20-15-19(23-24-20)18-13-7-8-14-22-18;/h1,3-4,7-10,13-15,17,21H,2,5-6,11-12H2,(H,23,24);1H