2-[(2S)-2-(2,3-dimethoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-2-(2,3-dimethoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-2-(2,3-dimethoxyphenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C21H25N2O5S+ MolecularWeight: 417.4986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

C[NH+](C)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H24N2O5S/c1-22(2)10-11-23-17(13-7-5-8-14(27-3)20(13)28-4)16(19(25)21(23)26)18(24)15-9-6-12-29-15/h5-9,12,17,25H,10-11H2,1-4H3/p+1/t17-/m0/s1