1-[(3-methylphenyl)methyl]piperazine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-[(3-methylphenyl)methyl]piperazine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-(m-tolylmethyl)piperazine; 2,2,2-trifluoroacetic acid CAS Name: 1-[(3-methylphenyl)methyl]piperazine; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[(3-methylphenyl)methyl]piperazine; 2,2,2-trifluoroacetic acid Traditional Name: 1-(3-methylbenzyl)piperazine; 2,2,2-trifluoroacetic acid Formula: C16H20F6N2O4 MolecularWeight: 418.331419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCNCC2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCNCC2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C12H18N2.2C2HF3O2/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14;2*3-2(4,5)1(6)7/h2-4,9,13H,5-8,10H2,1H3;2*(H,6,7)