1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2-pyridin-3-yl-2H-pyrrol-4-olate

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2-pyridin-3-yl-2H-pyrrol-4-olate Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2-(3-pyridyl)-2H-pyrrol-4-olate CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2-pyridin-3-yl-2H-pyrrol-4-olate Traditional Name: 2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-4-[(E)-3-phenylacryloyl]-5-(3-pyridyl)-3-pyrrolin-3-olate Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C=CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)/C=C/C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H27N3O4/c29-21(10-9-19-6-2-1-3-7-19)22-23(20-8-4-11-26-18-20)28(25(31)24(22)30)13-5-12-27-14-16-32-17-15-27/h1-4,6-11,18,23,30H,5,12-17H2/b10-9+