(E)-[2-(furan-2-yl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-morpholin-4-ylsulfonylphenyl)methanolate

Systemtic Name: (E)-[2-(furan-2-yl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-morpholin-4-ylsulfonylphenyl)methanolate Openeye Name: (E)-[2-(2-furyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-morpholinosulfonylphenyl)methanolate CAS Name: (E)-[2-(2-furanyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-[4-(4-morpholinylsulfonyl)phenyl]methanolate IUPAC Name: (E)-[2-(furan-2-yl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-morpholin-4-ylsulfonylphenyl)methanolate Traditional Name: (E)-[2-(2-furyl)-4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidin-3-ylidene]-(4-morpholinosulfonylphenyl)methanolate Formula: C25H29N3O8S MolecularWeight: 531.57806

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(=C(C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)[O-])C(=O)C2=O)C5=CC=CO5

Isomeric SMILES

C1COCC[NH+]1CCN2C(/C(=C(/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)\[O-])/C(=O)C2=O)C5=CC=CO5

InChI

InChI=1S/C25H29N3O8S/c29-23(18-3-5-19(6-4-18)37(32,33)27-11-16-35-17-12-27)21-22(20-2-1-13-36-20)28(25(31)24(21)30)8-7-26-9-14-34-15-10-26/h1-6,13,22,29H,7-12,14-17H2/b23-21+