N-[2-(1H-imidazol-5-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(1H-imidazol-5-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-(1H-imidazol-5-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide CAS Name: N-[2-(1H-imidazol-5-yl)ethyl]-1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(1H-imidazol-5-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-[2-(1H-imidazol-5-yl)ethyl]-1-(5-nitropyridin-1-ium-2-yl)isonipecotamide Formula: C16H21N6O3+ MolecularWeight: 345.37634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CN=CN2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CN=CN2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3/c23-16(18-6-3-13-9-17-11-20-13)12-4-7-21(8-5-12)15-2-1-14(10-19-15)22(24)25/h1-2,9-12H,3-8H2,(H,17,20)(H,18,23)/p+1