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

Systemtic Name: N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]-3-nitro-aniline Openeye Name: N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]-3-nitro-aniline CAS Name: N-[(Z)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]ethylideneamino]-3-nitroaniline IUPAC Name: N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]-3-nitroaniline Traditional Name: [(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]-(3-nitrophenyl)amine Formula: C20H25FN5O2+ MolecularWeight: 386.443203

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=NNC3=CC(=CC=C3)[N+](=O)[O-])C)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C(=N\NC3=CC(=CC=C3)[N+](=O)[O-])/C)F

InChI

InChI=1S/C20H24FN5O2/c1-3-24-9-11-25(12-10-24)20-8-7-16(13-19(20)21)15(2)22-23-17-5-4-6-18(14-17)26(27)28/h4-8,13-14,23H,3,9-12H2,1-2H3/p+1/b22-15-