N-tert-butyl-2-[4-[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C20H29FN3O3+ MolecularWeight: 378.460963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28FN3O3/c1-20(2,3)22-18(25)14-23-9-11-24(12-10-23)19(26)8-6-15-5-7-17(27-4)16(21)13-15/h5-8,13H,9-12,14H2,1-4H3,(H,22,25)/p+1/b8-6+