(4E)-4-[(7-methyl-2-morpholin-4-yl-quinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-3-ium-5-one

Systemtic Name: (4E)-4-[(7-methyl-2-morpholin-4-yl-quinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-3-ium-5-one Openeye Name: (4E)-4-[(7-methyl-2-morpholino-3-quinolyl)methylene]-2-phenyl-oxazol-3-ium-5-one CAS Name: (4E)-4-[[7-methyl-2-(4-morpholinyl)-3-quinolinyl]methylidene]-2-phenyl-5-oxazol-3-iumone IUPAC Name: (4E)-4-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-3-ium-5-one Traditional Name: (4E)-4-[(7-methyl-2-morpholino-3-quinolyl)methylene]-2-phenyl-2-oxazolin-3-ium-5-one Formula: C24H22N3O3+ MolecularWeight: 400.44978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C=C3C(=O)OC(=[NH+]3)C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=C/3\C(=O)OC(=[NH+]3)C4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C24H21N3O3/c1-16-7-8-18-14-19(22(25-20(18)13-16)27-9-11-29-12-10-27)15-21-24(28)30-23(26-21)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3/p+1/b21-15+