N-(1-adamantylmethyl)-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-(1-adamantylmethyl)-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-(1-adamantylmethyl)-5-nitro-pyridin-1-ium-2-amine CAS Name: N-(1-adamantylmethyl)-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-(1-adamantylmethyl)-5-nitropyridin-1-ium-2-amine Traditional Name: 1-adamantylmethyl-(5-nitropyridin-1-ium-2-yl)amine Formula: C16H22N3O2+ MolecularWeight: 288.36478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC4=[NH+]C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC4=[NH+]C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O2/c20-19(21)14-1-2-15(17-9-14)18-10-16-6-11-3-12(7-16)5-13(4-11)8-16/h1-2,9,11-13H,3-8,10H2,(H,17,18)/p+1