1-(5-nitropyridin-1-ium-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-nitropyridin-1-ium-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(5-nitropyridin-1-ium-2-yl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-(5-nitro-2-pyridin-1-iumyl)-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-nitropyridin-1-ium-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(5-nitropyridin-1-ium-2-yl)-N-(3-pyridylmethyl)isonipecotamide Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

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