(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide

Systemtic Name: (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Openeye Name: (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide CAS Name: (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Traditional Name: (3R)-N-[2-(1H-imidazol-5-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)nipecotamide Formula: C16H21N6O3+ MolecularWeight: 345.37634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CN=CN3

Isomeric SMILES

C1C[C@H](CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CN=CN3

InChI

InChI=1S/C16H20N6O3/c23-16(18-6-5-13-8-17-11-20-13)12-2-1-7-21(10-12)15-4-3-14(9-19-15)22(24)25/h3-4,8-9,11-12H,1-2,5-7,10H2,(H,17,20)(H,18,23)/p+1/t12-/m1/s1