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

Systemtic Name: 2-[(2S)-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-3-hydroxy-2-keto-5-(3-methoxyphenyl)-4-(2-thenoyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C20H23N2O4S+ MolecularWeight: 387.47262

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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=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-21(2)9-10-22-17(13-6-4-7-14(12-13)26-3)16(19(24)20(22)25)18(23)15-8-5-11-27-15/h4-8,11-12,17,24H,9-10H2,1-3H3/p+1/t17-/m0/s1