2-[(2S)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-2-(3-allyloxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-[2-furanyl(oxo)methyl]-4-hydroxy-5-oxo-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-2-(3-allyloxyphenyl)-3-(2-furoyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=CC=C3)OCC=C

Isomeric SMILES

C[NH+](C)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=CC=C3)OCC=C

InChI

InChI=1S/C22H24N2O5/c1-4-12-28-16-8-5-7-15(14-16)19-18(20(25)17-9-6-13-29-17)21(26)22(27)24(19)11-10-23(2)3/h4-9,13-14,19,26H,1,10-12H2,2-3H3/p+1/t19-/m0/s1