3-morpholin-4-ium-4-yl-1-[(3R)-3-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 3-morpholin-4-ium-4-yl-1-[(3R)-3-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 3-morpholin-4-ium-4-yl-1-[(3R)-3-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 3-(4-morpholin-4-iumyl)-1-[(3R)-3-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 3-morpholin-4-ium-4-yl-1-[(3R)-3-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 3-morpholin-4-ium-4-yl-1-[(5R)-5-(4-nitrophenyl)-3-phenyl-2-pyrazolin-1-yl]propan-1-one Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCC(=O)N2[C@H](CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c27-22(10-11-24-12-14-30-15-13-24)25-21(18-6-8-19(9-7-18)26(28)29)16-20(23-25)17-4-2-1-3-5-17/h1-9,21H,10-16H2/p+1/t21-/m1/s1