N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]-2-phenylazanyl-ethanamide

Systemtic Name: N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]-2-phenylazanyl-ethanamide Openeye Name: 2-anilino-N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]acetamide CAS Name: 2-anilino-N-[(Z)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]ethylideneamino]acetamide IUPAC Name: 2-anilino-N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]acetamide Traditional Name: 2-anilino-N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]acetamide Formula: C22H29FN5O+ MolecularWeight: 398.496963

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=NNC(=O)CNC3=CC=CC=C3)C)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C(=N\NC(=O)CNC3=CC=CC=C3)/C)F

InChI

InChI=1S/C22H28FN5O/c1-3-27-11-13-28(14-12-27)21-10-9-18(15-20(21)23)17(2)25-26-22(29)16-24-19-7-5-4-6-8-19/h4-10,15,24H,3,11-14,16H2,1-2H3,(H,26,29)/p+1/b25-17-