3-[(2S)-2-(3,4-dimethoxyphenyl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-diethyl-azanium

Systemtic Name: 3-[(2S)-2-(3,4-dimethoxyphenyl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-diethyl-azanium Openeye Name: 3-[(2S)-2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]propyl-diethyl-ammonium CAS Name: 3-[(2S)-2-(3,4-dimethoxyphenyl)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2H-pyrrol-1-yl]propyl-diethylammonium IUPAC Name: 3-[(2S)-2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]propyl-diethylazanium Traditional Name: 3-[(2S)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-keto-3-(5-methyl-2-furoyl)-3-pyrrolin-1-yl]propyl-diethyl-ammonium Formula: C25H33N2O6+ MolecularWeight: 457.53932

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=C(O2)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC[NH+](CC)CCCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=C(O2)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H32N2O6/c1-6-26(7-2)13-8-14-27-22(17-10-12-18(31-4)20(15-17)32-5)21(24(29)25(27)30)23(28)19-11-9-16(3)33-19/h9-12,15,22,29H,6-8,13-14H2,1-5H3/p+1/t22-/m0/s1