(E)-1,1,1-tris(fluoranyl)-4-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]but-3-en-2-one chloride

Systemtic Name: (E)-1,1,1-tris(fluoranyl)-4-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]but-3-en-2-one chloride Openeye Name: (E)-4-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)-1,1,1-trifluoro-but-3-en-2-one chloride CAS Name: (E)-1,1,1-trifluoro-4-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-3-buten-2-one chloride IUPAC Name: (E)-4-(4-benzyl-4-methylpiperazin-4-ium-1-yl)-1,1,1-trifluorobut-3-en-2-one chloride Traditional Name: (E)-4-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)-1,1,1-trifluoro-but-3-en-2-one chloride Formula: C16H20ClF3N2O MolecularWeight: 348.79101

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C=CC(=O)C(F)(F)F)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[N+]1(CCN(CC1)/C=C/C(=O)C(F)(F)F)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H20F3N2O.ClH/c1-21(13-14-5-3-2-4-6-14)11-9-20(10-12-21)8-7-15(22)16(17,18)19;/h2-8H,9-13H2,1H3;1H/q+1;/p-1/b8-7+;