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

Systemtic Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-5-oxidanylidene-2-pyridin-2-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[3-(dimethylammonio)propyl]-5-oxo-2-(2-pyridyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[3-(dimethylammonio)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-5-oxo-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-1-[3-(dimethylammonio)propyl]-2-keto-5-(2-pyridyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C19H21N3O3S MolecularWeight: 371.45334

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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=CC=N3

Isomeric SMILES

C[NH+](C)CCCN1[C@H](C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=CC=N3

InChI

InChI=1S/C19H21N3O3S/c1-21(2)10-6-11-22-16(13-7-3-4-9-20-13)15(18(24)19(22)25)17(23)14-8-5-12-26-14/h3-5,7-9,12,16,24H,6,10-11H2,1-2H3/t16-/m0/s1