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

Systemtic Name: 3-[(2S)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-4-hydroxy-3-(7-methoxybenzofuran-2-carbonyl)-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-3-hydroxy-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-(3-methoxyphenyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C26H29N2O6+ MolecularWeight: 465.51826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6/c1-27(2)12-7-13-28-22(16-8-5-10-18(14-16)32-3)21(24(30)26(28)31)23(29)20-15-17-9-6-11-19(33-4)25(17)34-20/h5-6,8-11,14-15,22,30H,7,12-13H2,1-4H3/p+1/t22-/m0/s1