2-[(2S)-2-(3-ethoxy-4-prop-2-enoxy-phenyl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-2-(3-ethoxy-4-prop-2-enoxy-phenyl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-2-(4-allyloxy-3-ethoxy-phenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-2-(4-allyloxy-3-ethoxy-phenyl)-4-hydroxy-5-keto-3-(5-methyl-2-furoyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C25H31N2O6+ MolecularWeight: 455.52344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC=C(O3)C)OCC=C

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC=C(O3)C)OCC=C

InChI

InChI=1S/C25H30N2O6/c1-6-14-32-18-11-9-17(15-20(18)31-7-2)22-21(23(28)19-10-8-16(3)33-19)24(29)25(30)27(22)13-12-26(4)5/h6,8-11,15,22,29H,1,7,12-14H2,2-5H3/p+1/t22-/m0/s1