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

Systemtic Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(3-methyl-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-3-(3-methyl-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(3-methyl-2-thienyl)prop-2-en-1-one Formula: C20H24FN2OS+ MolecularWeight: 359.480763

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C=CC3=C(C=CS3)C)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)/C=C/C3=C(C=CS3)C)F

InChI

InChI=1S/C20H23FN2OS/c1-3-22-9-11-23(12-10-22)18-5-4-16(14-17(18)21)19(24)6-7-20-15(2)8-13-25-20/h4-8,13-14H,3,9-12H2,1-2H3/p+1/b7-6+