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

Systemtic Name: (5S)-4-[(5-methyl-1-phenyl-pyrazol-4-yl)-oxidanyl-methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[hydroxy-(5-methyl-1-phenyl-pyrazol-4-yl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolidine-2,3-dione CAS Name: (5S)-4-[hydroxy-(5-methyl-1-phenyl-4-pyrazolyl)methylidene]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-phenylpyrrolidine-2,3-dione IUPAC Name: (5S)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-phenylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[hydroxy-(5-methyl-1-phenyl-pyrazol-4-yl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolidine-2,3-quinone Formula: C27H29N4O4+ MolecularWeight: 473.54356

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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=C5)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=C5)O

InChI

InChI=1S/C27H28N4O4/c1-19-22(18-28-31(19)21-10-6-3-7-11-21)25(32)23-24(20-8-4-2-5-9-20)30(27(34)26(23)33)13-12-29-14-16-35-17-15-29/h2-11,18,24,32H,12-17H2,1H3/p+1/t24-/m0/s1