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

Systemtic Name: (E)-N-[5-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[5-bromo-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(2-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-fluorophenyl)acrylamide Formula: C20H22BrFN3O+ MolecularWeight: 419.310583

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Br)NC(=O)C=CC3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Br)NC(=O)/C=C/C3=CC=CC=C3F

InChI

InChI=1S/C20H21BrFN3O/c1-24-10-12-25(13-11-24)19-8-7-16(21)14-18(19)23-20(26)9-6-15-4-2-3-5-17(15)22/h2-9,14H,10-13H2,1H3,(H,23,26)/p+1/b9-6+