1,1,1-tris(fluoranyl)-4-(4-methylpiperazin-4-ium-1-yl)but-3-en-2-one

Systemtic Name: 1,1,1-tris(fluoranyl)-4-(4-methylpiperazin-4-ium-1-yl)but-3-en-2-one Openeye Name: 1,1,1-trifluoro-4-(4-methylpiperazin-4-ium-1-yl)but-3-en-2-one CAS Name: 1,1,1-trifluoro-4-(4-methyl-1-piperazin-4-iumyl)-3-buten-2-one IUPAC Name: 1,1,1-trifluoro-4-(4-methylpiperazin-4-ium-1-yl)but-3-en-2-one Traditional Name: 1,1,1-trifluoro-4-(4-methylpiperazin-4-ium-1-yl)but-3-en-2-one Formula: C9H14F3N2O+ MolecularWeight: 223.21547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13F3N2O/c1-13-4-6-14(7-5-13)3-2-8(15)9(10,11)12/h2-3H,4-7H2,1H3/p+1