(E)-(4-methoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-(4-propan-2-yloxyphenyl)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(4-methoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-(4-propan-2-yloxyphenyl)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-[2-(4-isopropoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxyphenyl)methanolate CAS Name: (E)-(4-methoxyphenyl)-[1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-2-(4-propan-2-yloxyphenyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(4-methoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(4-propan-2-yloxyphenyl)pyrrolidin-3-ylidene]methanolate Traditional Name: (E)-[2-(4-isopropoxyphenyl)-4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]-(4-methoxyphenyl)methanolate Formula: C28H34N2O6 MolecularWeight: 494.57936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OC)\[O-])/C(=O)C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C28H34N2O6/c1-19(2)36-23-11-5-20(6-12-23)25-24(26(31)21-7-9-22(34-3)10-8-21)27(32)28(33)30(25)14-4-13-29-15-17-35-18-16-29/h5-12,19,25,31H,4,13-18H2,1-3H3/b26-24+