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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC=CO3)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)[C@H]2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC=CO3)OC

InChI

InChI=1S/C26H34N2O6/c1-17(2)11-15-34-19-10-9-18(16-21(19)32-5)23-22(24(29)20-8-6-14-33-20)25(30)26(31)28(23)13-7-12-27(3)4/h6,8-10,14,16-17,23,30H,7,11-13,15H2,1-5H3/p+1/t23-/m0/s1