N-(3-imidazol-1-ylpropyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-1-(5-nitropyridin-1-ium-2-yl)isonipecotamide Formula: C17H23N6O3+ MolecularWeight: 359.40292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCN2C=CN=C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCCCN2C=CN=C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3/c24-17(19-6-1-8-21-11-7-18-13-21)14-4-9-22(10-5-14)16-3-2-15(12-20-16)23(25)26/h2-3,7,11-14H,1,4-6,8-10H2,(H,19,24)/p+1