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

Systemtic Name: (E)-(4-chlorophenyl)-[2-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(4-chlorophenyl)-[2-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(4-chlorophenyl)-[2-(4-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(4-chlorophenyl)-[2-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate Traditional Name: (E)-(4-chlorophenyl)-[4,5-diketo-2-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]methanolate Formula: C25H27ClN2O5 MolecularWeight: 470.94528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\[O-])/C(=O)C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C25H27ClN2O5/c1-32-20-9-5-17(6-10-20)22-21(23(29)18-3-7-19(26)8-4-18)24(30)25(31)28(22)12-2-11-27-13-15-33-16-14-27/h3-10,22,29H,2,11-16H2,1H3/b23-21+