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

Systemtic Name: 3-[(2S)-2-(2,4-dimethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-2-(2,4-dimethoxyphenyl)-4-hydroxy-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-2-(2,4-dimethoxyphenyl)-4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-2-(2,4-dimethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-keto-3-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C27H31N2O7+ MolecularWeight: 495.54424

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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=C(C=C(C=C4)OC)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=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C27H30N2O7/c1-28(2)12-7-13-29-23(18-11-10-17(33-3)15-20(18)35-5)22(25(31)27(29)32)24(30)21-14-16-8-6-9-19(34-4)26(16)36-21/h6,8-11,14-15,23,31H,7,12-13H2,1-5H3/p+1/t23-/m0/s1