1-[5-[cyclohexyl(phenoxy)methyl]-1H-pyrazol-3-yl]pyridin-1-ium

Systemtic Name: 1-[5-[cyclohexyl(phenoxy)methyl]-1H-pyrazol-3-yl]pyridin-1-ium Openeye Name: 1-[5-[cyclohexyl(phenoxy)methyl]-1H-pyrazol-3-yl]pyridin-1-ium CAS Name: 1-[5-[cyclohexyl(phenoxy)methyl]-1H-pyrazol-3-yl]pyridin-1-ium IUPAC Name: 1-[5-[cyclohexyl(phenoxy)methyl]-1H-pyrazol-3-yl]pyridin-1-ium Traditional Name: 1-[5-[cyclohexyl(phenoxy)methyl]-1H-pyrazol-3-yl]pyridin-1-ium Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC(=NN2)[N+]3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(C2=CC(=NN2)[N+]3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H24N3O/c1-4-10-17(11-5-1)21(25-18-12-6-2-7-13-18)19-16-20(23-22-19)24-14-8-3-9-15-24/h2-3,6-9,12-17,21H,1,4-5,10-11H2,(H,22,23)/q+1