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

Systemtic Name: 3-[(2S)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-2-(3-allyloxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-3-[2-furanyl(oxo)methyl]-4-hydroxy-5-oxo-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-2-(3-allyloxyphenyl)-3-(2-furoyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C23H27N2O5+ MolecularWeight: 411.47088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=CC=C3)OCC=C

Isomeric SMILES

C[NH+](C)CCCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=CC=C3)OCC=C

InChI

InChI=1S/C23H26N2O5/c1-4-13-29-17-9-5-8-16(15-17)20-19(21(26)18-10-6-14-30-18)22(27)23(28)25(20)12-7-11-24(2)3/h4-6,8-10,14-15,20,27H,1,7,11-13H2,2-3H3/p+1/t20-/m0/s1