3-[(2R)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2R)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-isopropoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-3-[2-furanyl(oxo)methyl]-4-hydroxy-5-oxo-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-3-(2-furoyl)-4-hydroxy-2-(4-isopropoxyphenyl)-5-keto-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C23H29N2O5+ MolecularWeight: 413.48676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC=CO3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC=CO3

InChI

InChI=1S/C23H28N2O5/c1-15(2)30-17-10-8-16(9-11-17)20-19(21(26)18-7-5-14-29-18)22(27)23(28)25(20)13-6-12-24(3)4/h5,7-11,14-15,20,27H,6,12-13H2,1-4H3/p+1/t20-/m1/s1