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

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 5-[(4-fluoranylphenoxy)methyl]furan-2-carboxylate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate CAS Name: 5-[(4-fluorophenoxy)methyl]-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-fluorophenoxy)methyl]furan-2-carboxylate Traditional Name: 5-[(4-fluorophenoxy)methyl]furan-2-carboxylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C23H23FN3O5+ MolecularWeight: 440.444223

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)COC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=CC=C(O3)COC4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN3O5/c24-17-4-6-18(7-5-17)30-15-19-8-9-20(32-19)23(29)31-16-22(28)27-13-11-26(12-14-27)21-3-1-2-10-25-21/h1-10H,11-16H2/p+1