(2S)-3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-(3-propoxyphenyl)-2H-pyrrol-5-one

Systemtic Name: (2S)-3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-(3-propoxyphenyl)-2H-pyrrol-5-one Openeye Name: (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-furanyl(oxo)methyl]-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one IUPAC Name: (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-(2-furoyl)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-(3-propoxyphenyl)-3-pyrrolin-2-one Formula: C25H31N2O6+ MolecularWeight: 455.52344

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CO4

Isomeric SMILES

CCCOC1=CC=CC(=C1)[C@H]2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H30N2O6/c1-2-13-32-19-7-3-6-18(17-19)22-21(23(28)20-8-4-14-33-20)24(29)25(30)27(22)10-5-9-26-11-15-31-16-12-26/h3-4,6-8,14,17,22,29H,2,5,9-13,15-16H2,1H3/p+1/t22-/m0/s1