(3S)-1-(5-nitropyridin-1-ium-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(5-nitro-2-pyridin-1-iumyl)-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-(2-pyridylmethyl)nipecotamide Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C17H19N5O3/c23-17(20-10-14-5-1-2-8-18-14)13-4-3-9-21(12-13)16-7-6-15(11-19-16)22(24)25/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,20,23)/p+1/t13-/m0/s1