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

Systemtic Name: (E)-1,1,1-tris(fluoranyl)-4-[4-[(4-fluorophenyl)methyl]-4-methyl-piperazin-4-ium-1-yl]but-3-en-2-one chloride Openeye Name: (E)-1,1,1-trifluoro-4-[4-[(4-fluorophenyl)methyl]-4-methyl-piperazin-4-ium-1-yl]but-3-en-2-one chloride CAS Name: (E)-1,1,1-trifluoro-4-[4-[(4-fluorophenyl)methyl]-4-methyl-1-piperazin-4-iumyl]-3-buten-2-one chloride IUPAC Name: (E)-1,1,1-trifluoro-4-[4-[(4-fluorophenyl)methyl]-4-methylpiperazin-4-ium-1-yl]but-3-en-2-one chloride Traditional Name: (E)-1,1,1-trifluoro-4-[4-(4-fluorobenzyl)-4-methyl-piperazin-4-ium-1-yl]but-3-en-2-one chloride Formula: C16H19ClF4N2O MolecularWeight: 366.781473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F4N2O.ClH/c1-22(12-13-2-4-14(17)5-3-13)10-8-21(9-11-22)7-6-15(23)16(18,19)20;/h2-7H,8-12H2,1H3;1H/q+1;/p-1/b7-6+;