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

Systemtic Name: N-tert-butyl-2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(E)-3-(4-fluorophenyl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C19H27FN3O2+ MolecularWeight: 348.434983

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C19H26FN3O2/c1-19(2,3)21-17(24)14-22-10-12-23(13-11-22)18(25)9-6-15-4-7-16(20)8-5-15/h4-9H,10-14H2,1-3H3,(H,21,24)/p+1/b9-6+