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

Systemtic Name: (4E)-5-methyl-4-[(6-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[[6-methyl-2-(1-piperidyl)quinolin-1-ium-3-yl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[6-methyl-2-(1-piperidinyl)-3-quinolin-1-iumyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[(6-methyl-2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-[(6-methyl-2-piperidino-quinolin-1-ium-3-yl)methylene]-2-phenyl-2-pyrazolin-3-one Formula: C26H27N4O+ MolecularWeight: 411.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCC3)C=C4C(=NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCC3)/C=C/4\C(=NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C26H26N4O/c1-18-11-12-24-20(15-18)16-21(25(27-24)29-13-7-4-8-14-29)17-23-19(2)28-30(26(23)31)22-9-5-3-6-10-22/h3,5-6,9-12,15-17H,4,7-8,13-14H2,1-2H3/p+1/b23-17+