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

Systemtic Name: 2-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2-(p-tolyl)-2H-pyrrol-4-olate CAS Name: 2-(4-methylphenyl)-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-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Traditional Name: 2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-4-[(E)-3-phenylacryloyl]-5-(p-tolyl)-3-pyrrolin-3-olate Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4/c1-20-8-11-22(12-9-20)25-24(23(30)13-10-21-6-3-2-4-7-21)26(31)27(32)29(25)15-5-14-28-16-18-33-19-17-28/h2-4,6-13,25,31H,5,14-19H2,1H3/b13-10+