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

Systemtic Name: 2-[(2S)-2-(4-chlorophenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-2-(4-chlorophenyl)-4-hydroxy-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-2-(4-chlorophenyl)-4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-2-(4-chlorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(2S)-2-(4-chlorophenyl)-4-hydroxy-5-keto-3-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C26H28ClN2O5+ MolecularWeight: 483.96392

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2O5/c1-4-28(5-2)13-14-29-22(16-9-11-18(27)12-10-16)21(24(31)26(29)32)23(30)20-15-17-7-6-8-19(33-3)25(17)34-20/h6-12,15,22,31H,4-5,13-14H2,1-3H3/p+1/t22-/m0/s1