(2R)-2-(4-butoxy-3-methoxy-phenyl)-3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: (2R)-2-(4-butoxy-3-methoxy-phenyl)-3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2R)-2-(4-butoxy-3-methoxy-phenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one CAS Name: (2R)-2-(4-butoxy-3-methoxyphenyl)-3-[2-furanyl(oxo)methyl]-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-2H-pyrrol-5-one IUPAC Name: (2R)-2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one Traditional Name: (5R)-5-(4-butoxy-3-methoxy-phenyl)-4-(2-furoyl)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-2-one Formula: C27H35N2O7+ MolecularWeight: 499.576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CO4)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@@H]2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CO4)OC

InChI

InChI=1S/C27H34N2O7/c1-3-4-14-35-20-9-8-19(18-22(20)33-2)24-23(25(30)21-7-5-15-36-21)26(31)27(32)29(24)11-6-10-28-12-16-34-17-13-28/h5,7-9,15,18,24,31H,3-4,6,10-14,16-17H2,1-2H3/p+1/t24-/m1/s1