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

Systemtic Name: 3-[(2S)-2-(4-tert-butylphenyl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-diethyl-azanium Openeye Name: 3-[(2S)-2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]propyl-diethyl-ammonium CAS Name: 3-[(2S)-2-(4-tert-butylphenyl)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2H-pyrrol-1-yl]propyl-diethylammonium IUPAC Name: 3-[(2S)-2-(4-tert-butylphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]propyl-diethylazanium Traditional Name: 3-[(2S)-2-(4-tert-butylphenyl)-4-hydroxy-5-keto-3-(5-methyl-2-furoyl)-3-pyrrolin-1-yl]propyl-diethyl-ammonium Formula: C27H37N2O4+ MolecularWeight: 453.59368

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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)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)C

InChI

InChI=1S/C27H36N2O4/c1-7-28(8-2)16-9-17-29-23(19-11-13-20(14-12-19)27(4,5)6)22(25(31)26(29)32)24(30)21-15-10-18(3)33-21/h10-15,23,31H,7-9,16-17H2,1-6H3/p+1/t23-/m0/s1