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

Systemtic Name: 2-(4-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Openeye Name: 2-(4-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate CAS Name: 2-(4-ethylphenyl)-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-ethylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Traditional Name: 5-(4-ethylphenyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-3-olate Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H32N2O4/c1-2-21-9-12-23(13-10-21)26-25(24(31)14-11-22-7-4-3-5-8-22)27(32)28(33)30(26)16-6-15-29-17-19-34-20-18-29/h3-5,7-14,26,32H,2,6,15-20H2,1H3/b14-11+