(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C18H19BrFN2OS+ MolecularWeight: 410.323663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrFN2OS/c19-16-2-3-17(20)15(11-16)1-4-18(23)22-8-6-21(7-9-22)12-14-5-10-24-13-14/h1-5,10-11,13H,6-9,12H2/p+1/b4-1+