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

Systemtic Name: dimethyl-[3-[(2S)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-1-yl]propyl]azanium Openeye Name: 3-[(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(2-pyridyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-3-hydroxy-2-keto-4-(5-methyl-2-furoyl)-5-(2-pyridyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=CC=N3)CCC[NH+](C)C)O

Isomeric SMILES

CC1=CC=C(O1)C(=O)C2=C(C(=O)N([C@@H]2C3=CC=CC=N3)CCC[NH+](C)C)O

InChI

InChI=1S/C20H23N3O4/c1-13-8-9-15(27-13)18(24)16-17(14-7-4-5-10-21-14)23(20(26)19(16)25)12-6-11-22(2)3/h4-5,7-10,17,25H,6,11-12H2,1-3H3/p+1/t17-/m1/s1