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

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-N-(4-methyl-1-piperazin-4-iumyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)acrylamide Formula: C14H18BrFN3O+ MolecularWeight: 343.214623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrFN3O/c1-18-6-8-19(9-7-18)17-14(20)5-2-11-10-12(15)3-4-13(11)16/h2-5,10H,6-9H2,1H3,(H,17,20)/p+1/b5-2+