(3S)-N-(3-chloranyl-4-fluoranyl-phenyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-chloranyl-4-fluoranyl-phenyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(3-chloro-4-fluoro-phenyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide CAS Name: (3S)-N-(3-chloro-4-fluorophenyl)-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-chloro-4-fluorophenyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(3-chloro-4-fluoro-phenyl)-1-(5-nitropyridin-1-ium-2-yl)nipecotamide Formula: C17H17ClFN4O3+ MolecularWeight: 379.793283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H16ClFN4O3/c18-14-8-12(3-5-15(14)19)21-17(24)11-2-1-7-22(10-11)16-6-4-13(9-20-16)23(25)26/h3-6,8-9,11H,1-2,7,10H2,(H,21,24)/p+1/t11-/m0/s1