1-(2,6-dimethyl-3-nitro-pyridin-4-yl)-4-(4-fluorophenyl)-1-oxidanidyl-piperazin-1-ium

Systemtic Name: 1-(2,6-dimethyl-3-nitro-pyridin-4-yl)-4-(4-fluorophenyl)-1-oxidanidyl-piperazin-1-ium Openeye Name: 1-(2,6-dimethyl-3-nitro-4-pyridyl)-4-(4-fluorophenyl)-1-oxido-piperazin-1-ium CAS Name: 1-(2,6-dimethyl-3-nitro-4-pyridinyl)-4-(4-fluorophenyl)-1-oxidopiperazin-1-ium IUPAC Name: 1-(2,6-dimethyl-3-nitropyridin-4-yl)-4-(4-fluorophenyl)-1-oxidopiperazin-1-ium Traditional Name: 1-(2,6-dimethyl-3-nitro-4-pyridyl)-4-(4-fluorophenyl)-1-oxido-piperazin-1-ium Formula: C17H19FN4O3 MolecularWeight: 346.356163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)[N+]2(CCN(CC2)C3=CC=C(C=C3)F)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=NC(=C(C(=C1)[N+]2(CCN(CC2)C3=CC=C(C=C3)F)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C17H19FN4O3/c1-12-11-16(17(21(23)24)13(2)19-12)22(25)9-7-20(8-10-22)15-5-3-14(18)4-6-15/h3-6,11H,7-10H2,1-2H3