(E)-3-(3-bromanyl-4-oxidanyl-phenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromanyl-4-oxidanyl-phenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-4-hydroxy-phenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]prop-2-en-1-one CAS Name: (E)-3-(3-bromo-4-hydroxyphenyl)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-4-hydroxyphenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-4-hydroxy-phenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]prop-2-en-1-one Formula: C21H23BrFN2O2+ MolecularWeight: 434.321923

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)O)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrFN2O2/c1-2-24-9-11-25(12-10-24)19-6-5-16(14-18(19)23)20(26)7-3-15-4-8-21(27)17(22)13-15/h3-8,13-14,27H,2,9-12H2,1H3/p+1/b7-3+