1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(2-chloroethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C13H17ClF3N2+ MolecularWeight: 293.73569

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCl)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCCl)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H16ClF3N2/c14-4-5-18-6-8-19(9-7-18)12-3-1-2-11(10-12)13(15,16)17/h1-3,10H,4-9H2/p+1