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

Systemtic Name: dimethyl-[2-[(2R)-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl]azanium Openeye Name: 2-[(2R)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5R)-3-hydroxy-2-keto-5-(4-nitrophenyl)-4-(2-thenoyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C19H20N3O5S+ MolecularWeight: 402.4442

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-20(2)9-10-21-16(12-5-7-13(8-6-12)22(26)27)15(18(24)19(21)25)17(23)14-4-3-11-28-14/h3-8,11,16,24H,9-10H2,1-2H3/p+1/t16-/m1/s1