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

Systemtic Name: 2-[(2R)-2-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-2-[4-(2-amino-2-oxo-ethoxy)phenyl]-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-2-[4-(2-amino-2-oxoethoxy)phenyl]-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-2-[4-(2-amino-2-oxoethoxy)phenyl]-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-2-[4-(2-amino-2-keto-ethoxy)phenyl]-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C21H24N3O5S+ MolecularWeight: 430.49736

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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)OCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-23(2)9-10-24-18(13-5-7-14(8-6-13)29-12-16(22)25)17(20(27)21(24)28)19(26)15-4-3-11-30-15/h3-8,11,18,27H,9-10,12H2,1-2H3,(H2,22,25)/p+1/t18-/m1/s1