dimethyl-[3-[(2S)-4-oxidanyl-5-oxidanylidene-2-pyridin-2-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[(2S)-4-oxidanyl-5-oxidanylidene-2-pyridin-2-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl]azanium Openeye Name: 3-[(2S)-4-hydroxy-5-oxo-2-(2-pyridyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(2-pyridinyl)-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-4-hydroxy-5-oxo-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-3-hydroxy-2-keto-5-(2-pyridyl)-4-(2-thenoyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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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/p+1/t16-/m1/s1