N-[1-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]furan-2-carboxamide

Systemtic Name: N-[1-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]furan-2-carboxamide Openeye Name: N-[1-[2-(2-nitroanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]furan-2-carboxamide CAS Name: N-[1-[2-(2-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-2-furancarboxamide IUPAC Name: N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-yl]furan-2-carboxamide Traditional Name: N-[1-[2-keto-2-(2-nitroanilino)ethyl]piperidin-1-ium-4-yl]-2-furamide Formula: C18H21N4O5+ MolecularWeight: 373.38314

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CO2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CO2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5/c23-17(20-14-4-1-2-5-15(14)22(25)26)12-21-9-7-13(8-10-21)19-18(24)16-6-3-11-27-16/h1-6,11,13H,7-10,12H2,(H,19,24)(H,20,23)/p+1