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

Systemtic Name: 3-[4-[4-fluoranyl-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[4-fluoro-5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[4-fluoro-5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]piperazin-1-ium-1-yl]propionitrile Formula: C18H27FN6O2+2 MolecularWeight: 378.444383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CC[NH+](CC3)CCC#N)[N+](=O)[O-])F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CC[NH+](CC3)CCC#N)[N+](=O)[O-])F

InChI

InChI=1S/C18H25FN6O2/c1-21-5-9-23(10-6-21)16-14-17(18(25(26)27)13-15(16)19)24-11-7-22(8-12-24)4-2-3-20/h13-14H,2,4-12H2,1H3/p+2