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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Openeye Name: 2-(3,4-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate CAS Name: 2-(3,4-dimethoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-4-olate IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Traditional Name: 5-(3,4-dimethoxyphenyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-3-olate Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C=CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)/C=C/C4=CC=CC=C4)OC

InChI

InChI=1S/C28H32N2O6/c1-34-23-12-10-21(19-24(23)35-2)26-25(22(31)11-9-20-7-4-3-5-8-20)27(32)28(33)30(26)14-6-13-29-15-17-36-18-16-29/h3-5,7-12,19,26,32H,6,13-18H2,1-2H3/b11-9+