4-azanyl-N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]benzamide

Systemtic Name: 4-azanyl-N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]benzamide Openeye Name: 4-amino-N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]benzamide CAS Name: 4-amino-N-[(Z)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]ethylideneamino]benzamide IUPAC Name: 4-amino-N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]benzamide Traditional Name: 4-amino-N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]benzamide Formula: C21H27FN5O+ MolecularWeight: 384.470383

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=NNC(=O)C3=CC=C(C=C3)N)C)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C(=N\NC(=O)C3=CC=C(C=C3)N)/C)F

InChI

InChI=1S/C21H26FN5O/c1-3-26-10-12-27(13-11-26)20-9-6-17(14-19(20)22)15(2)24-25-21(28)16-4-7-18(23)8-5-16/h4-9,14H,3,10-13,23H2,1-2H3,(H,25,28)/p+1/b24-15-