[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C18H19N3O4 MolecularWeight: 341.36116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H19N3O4/c22-17(14-25-18(23)16-8-4-5-9-21(16)24)20-12-10-19(11-13-20)15-6-2-1-3-7-15/h1-9H,10-14H2