(E)-1-ethoxy-4,4,4-tris(fluoranyl)-3-oxidanylidene-but-1-en-1-olate; 1-phenylpiperazin-4-ium

Systemtic Name: (E)-1-ethoxy-4,4,4-tris(fluoranyl)-3-oxidanylidene-but-1-en-1-olate; 1-phenylpiperazin-4-ium Openeye Name: (E)-1-ethoxy-4,4,4-trifluoro-3-oxo-but-1-en-1-olate; 1-phenylpiperazin-4-ium CAS Name: (E)-1-ethoxy-4,4,4-trifluoro-3-oxo-1-buten-1-olate; 1-phenylpiperazin-4-ium IUPAC Name: (E)-1-ethoxy-4,4,4-trifluoro-3-oxobut-1-en-1-olate; 1-phenylpiperazin-4-ium Traditional Name: (E)-1-ethoxy-4,4,4-trifluoro-3-keto-but-1-en-1-olate; 1-phenylpiperazin-4-ium Formula: C16H21F3N2O3 MolecularWeight: 346.34475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(=O)C(F)(F)F)[O-].C1CN(CC[NH2+]1)C2=CC=CC=C2

Isomeric SMILES

CCO/C(=C/C(=O)C(F)(F)F)/[O-].C1CN(CC[NH2+]1)C2=CC=CC=C2

InChI

InChI=1S/C10H14N2.C6H7F3O3/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;1-2-12-5(11)3-4(10)6(7,8)9/h1-5,11H,6-9H2;3,11H,2H2,1H3/b;5-3+