(E)-(4-fluorophenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-(3-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(4-fluorophenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-(3-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-[2-(3-allyloxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate CAS Name: (E)-(4-fluorophenyl)-[1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-2-(3-prop-2-enoxyphenyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(4-fluorophenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(3-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methanolate Traditional Name: (E)-[2-(3-allyloxyphenyl)-4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate Formula: C27H29FN2O5 MolecularWeight: 480.527963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)F)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)F)\[O-])/C(=O)C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C27H29FN2O5/c1-2-15-35-22-6-3-5-20(18-22)24-23(25(31)19-7-9-21(28)10-8-19)26(32)27(33)30(24)12-4-11-29-13-16-34-17-14-29/h2-3,5-10,18,24,31H,1,4,11-17H2/b25-23+