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

Systemtic Name: diethyl-[2-[(2S)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(2-pyridyl)-2H-pyrrol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[(2S)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-1-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[(5S)-3-hydroxy-2-keto-4-(5-methyl-2-furoyl)-5-(2-pyridyl)-3-pyrrolin-1-yl]ethyl]ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=C(O2)C)C3=CC=CC=N3

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC=C(O2)C)C3=CC=CC=N3

InChI

InChI=1S/C21H25N3O4/c1-4-23(5-2)12-13-24-18(15-8-6-7-11-22-15)17(20(26)21(24)27)19(25)16-10-9-14(3)28-16/h6-11,18,26H,4-5,12-13H2,1-3H3/p+1/t18-/m1/s1