(4R)-5-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: (4R)-5-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: (4R)-5-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: (4R)-5-(4-methoxyphenyl)-4-[3-(4-morpholin-4-iumyl)propyliminomethyl]-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: (4R)-5-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: (4R)-5-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C24H28N5O5+ MolecularWeight: 466.50962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C2C=NCCC[NH+]3CCOCC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)[C@@H]2C=NCCC[NH+]3CCOCC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O5/c1-33-21-9-3-18(4-10-21)23-22(17-25-11-2-12-27-13-15-34-16-14-27)24(30)28(26-23)19-5-7-20(8-6-19)29(31)32/h3-10,17,22H,2,11-16H2,1H3/p+1/t22-/m1/s1