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

Systemtic Name: (E)-3-(2-ethoxyphenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]prop-2-en-1-one Openeye Name: (E)-3-(2-ethoxyphenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]prop-2-en-1-one CAS Name: (E)-3-(2-ethoxyphenyl)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-2-propen-1-one IUPAC Name: (E)-3-(2-ethoxyphenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]prop-2-en-1-one Traditional Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-o-phenetyl-prop-2-en-1-one Formula: C23H28FN2O2+ MolecularWeight: 383.479023

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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=C3OCC)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)/C=C/C3=CC=CC=C3OCC)F

InChI

InChI=1S/C23H27FN2O2/c1-3-25-13-15-26(16-14-25)21-11-9-19(17-20(21)24)22(27)12-10-18-7-5-6-8-23(18)28-4-2/h5-12,17H,3-4,13-16H2,1-2H3/p+1/b12-10+