(2R)-2-(3,4-dimethoxyphenyl)-1-[3-(dimethylazaniumyl)propyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2R)-2-(3,4-dimethoxyphenyl)-1-[3-(dimethylazaniumyl)propyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-2-(3,4-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-2-(3,4-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-2-(3,4-dimethoxyphenyl)-1-[3-(dimethylazaniumyl)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-5-(3,4-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H26N2O5S MolecularWeight: 430.51724

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-23(2)10-6-11-24-19(14-8-9-15(28-3)16(13-14)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/t19-/m1/s1