diethyl-[3-[(2S)-3-(furan-2-ylcarbonyl)-2-(3-methoxy-4-propoxy-phenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl]azanium

Systemtic Name: diethyl-[3-[(2S)-3-(furan-2-ylcarbonyl)-2-(3-methoxy-4-propoxy-phenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl]azanium Openeye Name: diethyl-[3-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-propoxy-phenyl)-5-oxo-2H-pyrrol-1-yl]propyl]ammonium CAS Name: diethyl-[3-[(2S)-3-[2-furanyl(oxo)methyl]-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl]ammonium IUPAC Name: diethyl-[3-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl]azanium Traditional Name: diethyl-[3-[(5S)-4-(2-furoyl)-3-hydroxy-2-keto-5-(3-methoxy-4-propoxy-phenyl)-3-pyrrolin-1-yl]propyl]ammonium Formula: C26H35N2O6+ MolecularWeight: 471.5659

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+](CC)CC)O)C(=O)C3=CC=CO3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H]2C(=C(C(=O)N2CCC[NH+](CC)CC)O)C(=O)C3=CC=CO3)OC

InChI

InChI=1S/C26H34N2O6/c1-5-15-33-19-12-11-18(17-21(19)32-4)23-22(24(29)20-10-8-16-34-20)25(30)26(31)28(23)14-9-13-27(6-2)7-3/h8,10-12,16-17,23,30H,5-7,9,13-15H2,1-4H3/p+1/t23-/m0/s1