2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethanone Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)N2[C@H](CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H26N3O2/c1-18-8-7-15-27(19(18)2)17-25(29)28-24(21-11-13-22(30-3)14-12-21)16-23(26-28)20-9-5-4-6-10-20/h4-15,24H,16-17H2,1-3H3/q+1/t24-/m1/s1