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

Systemtic Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]-3-(3-hydroxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(3-hydroxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-3-(3-hydroxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]-3-(3-hydroxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(3-hydroxyphenyl)prop-2-en-1-one Formula: C21H24FN2O2+ MolecularWeight: 355.425863

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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(=CC=C3)O)F

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O2/c1-2-23-10-12-24(13-11-23)20-8-7-17(15-19(20)22)21(26)9-6-16-4-3-5-18(25)14-16/h3-9,14-15,25H,2,10-13H2,1H3/p+1/b9-6+