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

Systemtic Name: 4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(1-methylpiperidin-1-ium-4-yl)-4-oxidanylidene-butanamide Openeye Name: 4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(1-methylpiperidin-1-ium-4-yl)-4-oxo-butanamide CAS Name: 4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(1-methyl-4-piperidin-1-iumyl)-4-oxobutanamide IUPAC Name: 4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(1-methylpiperidin-1-ium-4-yl)-4-oxobutanamide Traditional Name: 4-keto-4-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-N-(1-methylpiperidin-1-ium-4-yl)butyramide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)CCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)CCC(=O)N2[C@H](CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H32N4O3/c1-29-16-14-21(15-17-29)27-25(31)12-13-26(32)30-24(20-8-10-22(33-2)11-9-20)18-23(28-30)19-6-4-3-5-7-19/h3-11,21,24H,12-18H2,1-2H3,(H,27,31)/p+1/t24-/m1/s1