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

Systemtic Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]-3-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-3-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]-3-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(3-pyridyl)prop-2-en-1-one Formula: C20H23FN3O+ MolecularWeight: 340.414523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O/c1-2-23-10-12-24(13-11-23)19-7-6-17(14-18(19)21)20(25)8-5-16-4-3-9-22-15-16/h3-9,14-15H,2,10-13H2,1H3/p+1/b8-5+