N-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide

Systemtic Name: N-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide Openeye Name: N-(2-chloro-6-fluoro-benzoyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide CAS Name: N-[(2-chloro-6-fluorophenyl)-oxomethyl]-4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(2-chloro-6-fluorobenzoyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide Traditional Name: N-(2-chloro-6-fluoro-benzoyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carboxamide Formula: C17H16ClFN5O4+ MolecularWeight: 408.791443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H15ClFN5O4/c18-12-2-1-3-13(19)15(12)16(25)21-17(26)23-8-6-22(7-9-23)14-5-4-11(10-20-14)24(27)28/h1-5,10H,6-9H2,(H,21,25,26)/p+1