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

Systemtic Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C22H27N2O5S+ MolecularWeight: 431.52518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N2O5S/c1-23(2)10-6-11-24-19(15-9-8-14(28-3)13-16(15)29-4)18(21(26)22(24)27)20(25)17-7-5-12-30-17/h5,7-9,12-13,19,26H,6,10-11H2,1-4H3/p+1/t19-/m1/s1