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

Systemtic Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanone Openeye Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(4-hydroxy-1-piperidin-1-iumyl)-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-1-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethanone Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C[NH+]3CCC(CC3)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)C[NH+]3CCC(CC3)O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c1-29-20-9-7-18(8-10-20)22-15-21(17-5-3-2-4-6-17)24-26(22)23(28)16-25-13-11-19(27)12-14-25/h2-10,19,22,27H,11-16H2,1H3/p+1/t22-/m1/s1