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

Systemtic Name: methyl N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]ethylideneamino]carbamate Openeye Name: methyl N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]carbamate CAS Name: N-[(Z)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]ethylideneamino]carbamic acid methyl ester IUPAC Name: methyl N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]carbamate Traditional Name: N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]ethylideneamino]carbamic acid methyl ester Formula: C16H24FN4O2+ MolecularWeight: 323.385763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23FN4O2/c1-4-20-7-9-21(10-8-20)15-6-5-13(11-14(15)17)12(2)18-19-16(22)23-3/h5-6,11H,4,7-10H2,1-3H3,(H,19,22)/p+1/b18-12-