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

Systemtic Name: 3-[4-(4-fluoranyl-5-morpholin-4-yl-2-nitro-phenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-fluoro-5-morpholino-2-nitro-phenyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[4-fluoro-5-(4-morpholinyl)-2-nitrophenyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-fluoro-5-morpholin-4-yl-2-nitrophenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-fluoro-5-morpholino-2-nitro-phenyl)piperazin-1-ium-1-yl]propionitrile Formula: C17H23FN5O3+ MolecularWeight: 364.394623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCOCC3

InChI

InChI=1S/C17H22FN5O3/c18-14-12-17(23(24)25)16(13-15(14)22-8-10-26-11-9-22)21-6-4-20(5-7-21)3-1-2-19/h12-13H,1,3-11H2/p+1