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

Systemtic Name: diethyl-[3-[(2S)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propyl]azanium Openeye Name: diethyl-[3-[(2S)-4-hydroxy-2-(4-isopropylphenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]propyl]ammonium CAS Name: diethyl-[3-[(2S)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propyl]ammonium IUPAC Name: diethyl-[3-[(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propyl]azanium Traditional Name: diethyl-[3-[(5S)-3-hydroxy-2-keto-4-(5-methyl-2-furoyl)-5-p-cumenyl-3-pyrrolin-1-yl]propyl]ammonium Formula: C26H35N2O4+ MolecularWeight: 439.5671

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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)C(C)C

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)C(C)C

InChI

InChI=1S/C26H34N2O4/c1-6-27(7-2)15-8-16-28-23(20-12-10-19(11-13-20)17(3)4)22(25(30)26(28)31)24(29)21-14-9-18(5)32-21/h9-14,17,23,30H,6-8,15-16H2,1-5H3/p+1/t23-/m0/s1