5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-4-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-4-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(4-pyridyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 5-oxo-3-[oxo(thiophen-2-yl)methyl]-1-(3-pyridin-1-iumylmethyl)-2-pyridin-4-yl-2H-pyrrol-4-olate IUPAC Name: 5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-1-(pyridin-1-ium-3-ylmethyl)-5-(4-pyridyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=NC=C4

Isomeric SMILES

C1=CC(=C[NH+]=C1)CN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=NC=C4

InChI

InChI=1S/C20H15N3O3S/c24-18(15-4-2-10-27-15)16-17(14-5-8-21-9-6-14)23(20(26)19(16)25)12-13-3-1-7-22-11-13/h1-11,17,25H,12H2