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

Systemtic Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-propyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)N2[C@H](CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H28N3O2/c1-3-7-20-14-16-28(17-15-20)19-26(30)29-25(22-10-12-23(31-2)13-11-22)18-24(27-29)21-8-5-4-6-9-21/h4-6,8-17,25H,3,7,18-19H2,1-2H3/q+1/t25-/m1/s1