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

Systemtic Name: diethyl-[3-[(2S)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-1-yl]propyl]azanium Openeye Name: diethyl-[3-[(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(4-pyridyl)-2H-pyrrol-1-yl]propyl]ammonium CAS Name: diethyl-[3-[(2S)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]propyl]ammonium IUPAC Name: diethyl-[3-[(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]propyl]azanium Traditional Name: diethyl-[3-[(5S)-3-hydroxy-2-keto-4-(5-methyl-2-furoyl)-5-(4-pyridyl)-3-pyrrolin-1-yl]propyl]ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-4-24(5-2)13-6-14-25-19(16-9-11-23-12-10-16)18(21(27)22(25)28)20(26)17-8-7-15(3)29-17/h7-12,19,27H,4-6,13-14H2,1-3H3/p+1/t19-/m0/s1