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

Systemtic Name: (2R)-2-(3-bromophenyl)-1-[3-(dimethylazaniumyl)propyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-2-(3-bromophenyl)-1-[3-(dimethylazaniumyl)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-5-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C20H21BrN2O3S MolecularWeight: 449.36134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3S/c1-22(2)9-5-10-23-17(13-6-3-7-14(21)12-13)16(19(25)20(23)26)18(24)15-8-4-11-27-15/h3-4,6-8,11-12,17,25H,5,9-10H2,1-2H3/t17-/m1/s1