(4-phenylpiperazin-1-ium-1-ylidene)methanediamine; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (4-phenylpiperazin-1-ium-1-ylidene)methanediamine; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (4-phenylpiperazin-1-ium-1-ylidene)methanediamine; 2,2,2-trifluoroacetate CAS Name: (4-phenyl-1-piperazin-1-iumylidene)methanediamine; 2,2,2-trifluoroacetate IUPAC Name: (4-phenylpiperazin-1-ium-1-ylidene)methanediamine; 2,2,2-trifluoroacetate Traditional Name: [amino-(4-phenylpiperazin-1-ium-1-ylidene)methyl]amine; 2,2,2-trifluoroacetate Formula: C13H17F3N4O2 MolecularWeight: 318.29489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(N)N)CCN1C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1C[N+](=C(N)N)CCN1C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C11H16N4.C2HF3O2/c12-11(13)15-8-6-14(7-9-15)10-4-2-1-3-5-10;3-2(4,5)1(6)7/h1-5H,6-9H2,(H3,12,13);(H,6,7)