3-[(2S)-2-(4-tert-butylphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-diethyl-azanium

Systemtic Name: 3-[(2S)-2-(4-tert-butylphenyl)-3-[(7-methoxy-1-benzofuran-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-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]propyl-diethyl-ammonium CAS Name: 3-[(2S)-2-(4-tert-butylphenyl)-4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-1-yl]propyl-diethylammonium IUPAC Name: 3-[(2S)-2-(4-tert-butylphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]propyl-diethylazanium Traditional Name: 3-[(2S)-2-(4-tert-butylphenyl)-4-hydroxy-5-keto-3-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-1-yl]propyl-diethyl-ammonium Formula: C31H39N2O5+ MolecularWeight: 519.65176

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC[NH+](CC)CCCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H38N2O5/c1-7-32(8-2)17-10-18-33-26(20-13-15-22(16-14-20)31(3,4)5)25(28(35)30(33)36)27(34)24-19-21-11-9-12-23(37-6)29(21)38-24/h9,11-16,19,26,35H,7-8,10,17-18H2,1-6H3/p+1/t26-/m0/s1