diethyl-[3-[(2R)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2-(4-propoxyphenyl)-2H-pyrrol-1-yl]propyl]azanium

Systemtic Name: diethyl-[3-[(2R)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2-(4-propoxyphenyl)-2H-pyrrol-1-yl]propyl]azanium Openeye Name: diethyl-[3-[(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(4-propoxyphenyl)-2H-pyrrol-1-yl]propyl]ammonium CAS Name: diethyl-[3-[(2R)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2-(4-propoxyphenyl)-2H-pyrrol-1-yl]propyl]ammonium IUPAC Name: diethyl-[3-[(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(4-propoxyphenyl)-2H-pyrrol-1-yl]propyl]azanium Traditional Name: diethyl-[3-[(5R)-3-hydroxy-2-keto-4-(5-methyl-2-furoyl)-5-(4-propoxyphenyl)-3-pyrrolin-1-yl]propyl]ammonium Formula: C26H35N2O5+ MolecularWeight: 455.5665

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+](CC)CC)O)C(=O)C3=CC=C(O3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CCC[NH+](CC)CC)O)C(=O)C3=CC=C(O3)C

InChI

InChI=1S/C26H34N2O5/c1-5-17-32-20-12-10-19(11-13-20)23-22(24(29)21-14-9-18(4)33-21)25(30)26(31)28(23)16-8-15-27(6-2)7-3/h9-14,23,30H,5-8,15-17H2,1-4H3/p+1/t23-/m1/s1