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

Systemtic Name: 3-[(2R)-2-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-2-[4-(2-amino-2-oxo-ethoxy)phenyl]-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-2-[4-(2-amino-2-oxoethoxy)phenyl]-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-2-[4-(2-amino-2-oxoethoxy)phenyl]-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-2-[4-(2-amino-2-keto-ethoxy)phenyl]-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C22H26N3O5S+ MolecularWeight: 444.52394

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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=CC=C(C=C3)OCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-24(2)10-4-11-25-19(14-6-8-15(9-7-14)30-13-17(23)26)18(21(28)22(25)29)20(27)16-5-3-12-31-16/h3,5-9,12,19,28H,4,10-11,13H2,1-2H3,(H2,23,26)/p+1/t19-/m1/s1