(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C14H17BrFN2O+ MolecularWeight: 328.199983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrFN2O/c1-17-6-8-18(9-7-17)14(19)5-2-11-10-12(15)3-4-13(11)16/h2-5,10H,6-9H2,1H3/p+1/b5-2+