(E)-2-(4-fluorophenyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-2-(4-fluorophenyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-2-(4-fluorophenyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-2-(4-fluorophenyl)-1-(4-methyl-1-piperazin-4-iumyl)-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-2-(4-fluorophenyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-2-(4-fluorophenyl)-1-(4-methylpiperazin-4-ium-1-yl)-3-(2-thienyl)prop-2-en-1-one Formula: C18H20FN2OS+ MolecularWeight: 331.427603

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=CC2=CC=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C(=C/C2=CC=CS2)/C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN2OS/c1-20-8-10-21(11-9-20)18(22)17(13-16-3-2-12-23-16)14-4-6-15(19)7-5-14/h2-7,12-13H,8-11H2,1H3/p+1/b17-13+