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

Systemtic Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-(3-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(5-nitro-2-pyridin-1-iumyl)-N-(3-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-(3-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=CN=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C17H19N5O3/c23-17(20-10-13-3-1-7-18-9-13)14-4-2-8-21(12-14)16-6-5-15(11-19-16)22(24)25/h1,3,5-7,9,11,14H,2,4,8,10,12H2,(H,20,23)/p+1/t14-/m0/s1