[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C22H21N4O6+ MolecularWeight: 437.42534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O6/c27-21(25-13-11-24(12-14-25)20-3-1-2-10-23-20)15-31-22(28)19-9-8-18(32-19)16-4-6-17(7-5-16)26(29)30/h1-10H,11-15H2/p+1