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

Systemtic Name: (4E)-4-[(6-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one Openeye Name: (4E)-4-[[6-methyl-2-(1-piperidyl)quinolin-1-ium-3-yl]methylene]-2-phenyl-oxazol-5-one CAS Name: (4E)-4-[[6-methyl-2-(1-piperidinyl)-3-quinolin-1-iumyl]methylidene]-2-phenyl-5-oxazolone IUPAC Name: (4E)-4-[(6-methyl-2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one Traditional Name: (4E)-4-[(6-methyl-2-piperidino-quinolin-1-ium-3-yl)methylene]-2-phenyl-2-oxazolin-5-one Formula: C25H24N3O2+ MolecularWeight: 398.47696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCC3)C=C4C(=O)OC(=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCC3)/C=C/4\C(=O)OC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2/c1-17-10-11-21-19(14-17)15-20(23(26-21)28-12-6-3-7-13-28)16-22-25(29)30-24(27-22)18-8-4-2-5-9-18/h2,4-5,8-11,14-16H,3,6-7,12-13H2,1H3/p+1/b22-16+