(E)-3-(3-fluorophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-fluorophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-fluorophenyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-fluorophenyl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-fluorophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-fluorophenyl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C18H20FN2OS+ MolecularWeight: 331.427603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C=CC3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)/C=C/C3=CC(=CC=C3)F

InChI

InChI=1S/C18H19FN2OS/c19-17-3-1-2-15(12-17)4-5-18(22)21-9-7-20(8-10-21)13-16-6-11-23-14-16/h1-6,11-12,14H,7-10,13H2/p+1/b5-4+