methyl 4-[(2S)-3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[(2S)-3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[(2S)-3-[2-furanyl(oxo)methyl]-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[(2S)-3-(2-furoyl)-4-hydroxy-5-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C24H27N2O7+ MolecularWeight: 455.48038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CO4

InChI

InChI=1S/C24H26N2O7/c1-31-24(30)17-7-5-16(6-8-17)20-19(21(27)18-4-2-13-33-18)22(28)23(29)26(20)10-3-9-25-11-14-32-15-12-25/h2,4-8,13,20,28H,3,9-12,14-15H2,1H3/p+1/t20-/m0/s1