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

Systemtic Name: 2-[5-(2-cyclohexyl-1-phenoxy-propyl)-1H-pyrazol-3-yl]pyridin-1-ium chloride Openeye Name: 2-[5-(2-cyclohexyl-1-phenoxy-propyl)-1H-pyrazol-3-yl]pyridin-1-ium chloride CAS Name: 2-[5-(2-cyclohexyl-1-phenoxypropyl)-1H-pyrazol-3-yl]pyridin-1-ium chloride IUPAC Name: 2-[5-(2-cyclohexyl-1-phenoxypropyl)-1H-pyrazol-3-yl]pyridin-1-ium chloride Traditional Name: 2-[5-(2-cyclohexyl-1-phenoxy-propyl)-1H-pyrazol-3-yl]pyridin-1-ium chloride Formula: C23H28ClN3O MolecularWeight: 397.94092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)C(C2=CC(=NN2)C3=CC=CC=[NH+]3)OC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC(C1CCCCC1)C(C2=CC(=NN2)C3=CC=CC=[NH+]3)OC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H27N3O.ClH/c1-17(18-10-4-2-5-11-18)23(27-19-12-6-3-7-13-19)22-16-21(25-26-22)20-14-8-9-15-24-20;/h3,6-9,12-18,23H,2,4-5,10-11H2,1H3,(H,25,26);1H