2-chloranylethanamine; [5-ethyl-1-(trifluoromethyl)imidazol-1-ium-1-yl]-phenyl-methanone

Systemtic Name: 2-chloranylethanamine; [5-ethyl-1-(trifluoromethyl)imidazol-1-ium-1-yl]-phenyl-methanone Openeye Name: 2-chloroethanamine; [5-ethyl-1-(trifluoromethyl)imidazol-1-ium-1-yl]-phenyl-methanone CAS Name: 2-chloroethanamine; [5-ethyl-1-(trifluoromethyl)-1-imidazol-1-iumyl]-phenylmethanone IUPAC Name: 2-chloroethanamine; [5-ethyl-1-(trifluoromethyl)imidazol-1-ium-1-yl]-phenylmethanone Traditional Name: 2-chloroethylamine; [5-ethyl-1-(trifluoromethyl)imidazol-1-ium-1-yl]-phenyl-methanone Formula: C15H18ClF3N3O+ MolecularWeight: 348.77113

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C[N+]1(C(=O)C2=CC=CC=C2)C(F)(F)F.C(CCl)N

Isomeric SMILES

CCC1=CN=C[N+]1(C(=O)C2=CC=CC=C2)C(F)(F)F.C(CCl)N

InChI

InChI=1S/C13H12F3N2O.C2H6ClN/c1-2-11-8-17-9-18(11,13(14,15)16)12(19)10-6-4-3-5-7-10;3-1-2-4/h3-9H,2H2,1H3;1-2,4H2/q+1;