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

Systemtic Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-(3-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-fluorophenyl)acrylamide Formula: C21H25FN3O+ MolecularWeight: 354.441103

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C=CC3=CC(=CC=C3)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)/C=C/C3=CC(=CC=C3)F

InChI

InChI=1S/C21H24FN3O/c1-2-24-12-14-25(15-13-24)20-9-4-3-8-19(20)23-21(26)11-10-17-6-5-7-18(22)16-17/h3-11,16H,2,12-15H2,1H3,(H,23,26)/p+1/b11-10+