(4E)-5-methyl-4-[(6-methyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[(6-methyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[(6-methyl-2-morpholino-quinolin-1-ium-3-yl)methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[6-methyl-2-(4-morpholinyl)-3-quinolin-1-iumyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[(6-methyl-2-morpholin-4-ylquinolin-1-ium-3-yl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-[(6-methyl-2-morpholino-quinolin-1-ium-3-yl)methylene]-2-phenyl-2-pyrazolin-3-one Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCOCC3)C=C4C(=NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCOCC3)/C=C/4\C(=NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C25H24N4O2/c1-17-8-9-23-19(14-17)15-20(24(26-23)28-10-12-31-13-11-28)16-22-18(2)27-29(25(22)30)21-6-4-3-5-7-21/h3-9,14-16H,10-13H2,1-2H3/p+1/b22-16+