4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide

Systemtic Name: 4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanamide CAS Name: N-(3-hydroxy-2-pyridin-1-iumyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide IUPAC Name: N-(3-hydroxypyridin-1-ium-2-yl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-4-keto-4-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]butyramide Formula: C25H25N4O4+ MolecularWeight: 445.4904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)NC3=C(C=CC=[NH+]3)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)NC3=C(C=CC=[NH+]3)O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O4/c1-33-19-11-9-18(10-12-19)21-16-20(17-6-3-2-4-7-17)28-29(21)24(32)14-13-23(31)27-25-22(30)8-5-15-26-25/h2-12,15,21,30H,13-14,16H2,1H3,(H,26,27,31)/p+1/t21-/m1/s1