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

Systemtic Name: diethyl-[3-[(2S)-3-(5-methylfuran-2-yl)carbonyl-2-(4-methylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl]azanium Openeye Name: diethyl-[3-[(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(p-tolyl)-2H-pyrrol-1-yl]propyl]ammonium CAS Name: diethyl-[3-[(2S)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]propyl]ammonium IUPAC Name: diethyl-[3-[(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]propyl]azanium Traditional Name: diethyl-[3-[(5S)-3-hydroxy-2-keto-4-(5-methyl-2-furoyl)-5-(p-tolyl)-3-pyrrolin-1-yl]propyl]ammonium Formula: C24H31N2O4+ MolecularWeight: 411.51394

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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

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

InChI

InChI=1S/C24H30N2O4/c1-5-25(6-2)14-7-15-26-21(18-11-8-16(3)9-12-18)20(23(28)24(26)29)22(27)19-13-10-17(4)30-19/h8-13,21,28H,5-7,14-15H2,1-4H3/p+1/t21-/m0/s1