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

Systemtic Name: 1-(2,6-dimethyl-3-nitro-1-oxidanidyl-pyridin-1-ium-4-yl)-4-(4-fluorophenyl)piperazine dihydrochloride Openeye Name: 1-(2,6-dimethyl-3-nitro-1-oxido-pyridin-1-ium-4-yl)-4-(4-fluorophenyl)piperazine dihydrochloride CAS Name: 1-(2,6-dimethyl-3-nitro-1-oxido-4-pyridin-1-iumyl)-4-(4-fluorophenyl)piperazine dihydrochloride IUPAC Name: 1-(2,6-dimethyl-3-nitro-1-oxidopyridin-1-ium-4-yl)-4-(4-fluorophenyl)piperazine dihydrochloride Traditional Name: 1-(2,6-dimethyl-3-nitro-1-oxido-pyridin-1-ium-4-yl)-4-(4-fluorophenyl)piperazine dihydrochloride Formula: C17H21Cl2FN4O3 MolecularWeight: 419.278043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C(=C1)N2CCN(CC2)C3=CC=C(C=C3)F)[N+](=O)[O-])C)[O-].Cl.Cl

Isomeric SMILES

CC1=[N+](C(=C(C(=C1)N2CCN(CC2)C3=CC=C(C=C3)F)[N+](=O)[O-])C)[O-].Cl.Cl

InChI

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