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

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate Openeye Name: 2-(4-isopropylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-p-cumenyl-4-[(E)-3-phenylacryloyl]-3-pyrrolin-3-olate Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O4/c1-21(2)23-10-12-24(13-11-23)27-26(25(32)14-9-22-7-4-3-5-8-22)28(33)29(34)31(27)16-6-15-30-17-19-35-20-18-30/h3-5,7-14,21,27,33H,6,15-20H2,1-2H3/b14-9+