3-[4-[5-(diethylamino)-4-fluoranyl-2-nitro-phenyl]piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[5-(diethylamino)-4-fluoranyl-2-nitro-phenyl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[5-(diethylamino)-4-fluoro-2-nitro-phenyl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[5-(diethylamino)-4-fluoro-2-nitrophenyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[5-(diethylamino)-4-fluoro-2-nitrophenyl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[5-(diethylamino)-4-fluoro-2-nitro-phenyl]piperazin-1-ium-1-yl]propionitrile Formula: C17H25FN5O2+ MolecularWeight: 350.411103

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C(=C1)N2CC[NH+](CC2)CCC#N)[N+](=O)[O-])F

Isomeric SMILES

CCN(CC)C1=C(C=C(C(=C1)N2CC[NH+](CC2)CCC#N)[N+](=O)[O-])F

InChI

InChI=1S/C17H24FN5O2/c1-3-21(4-2)15-13-16(17(23(24)25)12-14(15)18)22-10-8-20(9-11-22)7-5-6-19/h12-13H,3-5,7-11H2,1-2H3/p+1