(5R)-4-[(5-methyl-1-phenyl-pyrazol-4-yl)-oxidanyl-methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-2-yl-pyrrolidine-2,3-dione

Systemtic Name: (5R)-4-[(5-methyl-1-phenyl-pyrazol-4-yl)-oxidanyl-methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-2-yl-pyrrolidine-2,3-dione Openeye Name: (5R)-4-[hydroxy-(5-methyl-1-phenyl-pyrazol-4-yl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-(2-pyridyl)pyrrolidine-2,3-dione CAS Name: (5R)-4-[hydroxy-(5-methyl-1-phenyl-4-pyrazolyl)methylidene]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-(2-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (5R)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-2-ylpyrrolidine-2,3-dione Traditional Name: (5R)-4-[hydroxy-(5-methyl-1-phenyl-pyrazol-4-yl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-(2-pyridyl)pyrrolidine-2,3-quinone Formula: C26H28N5O4+ MolecularWeight: 474.53162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC[NH+]4CCOCC4)C5=CC=CC=N5)O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=C3[C@@H](N(C(=O)C3=O)CC[NH+]4CCOCC4)C5=CC=CC=N5)O

InChI

InChI=1S/C26H27N5O4/c1-18-20(17-28-31(18)19-7-3-2-4-8-19)24(32)22-23(21-9-5-6-10-27-21)30(26(34)25(22)33)12-11-29-13-15-35-16-14-29/h2-10,17,23,32H,11-16H2,1H3/p+1/t23-/m0/s1