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

Systemtic Name: 2-(4-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Openeye Name: 2-(4-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate CAS Name: 2-(4-chlorophenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-4-olate IUPAC Name: 2-(4-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Traditional Name: 5-(4-chlorophenyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-3-olate Formula: C26H27ClN2O4 MolecularWeight: 466.95658

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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=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2O4/c27-21-10-8-20(9-11-21)24-23(22(30)12-7-19-5-2-1-3-6-19)25(31)26(32)29(24)14-4-13-28-15-17-33-18-16-28/h1-3,5-12,24,31H,4,13-18H2/b12-7+