2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethylamino]benzenecarbonitrile

Systemtic Name: 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethylamino]benzenecarbonitrile Openeye Name: 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethylamino]benzonitrile CAS Name: 2-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]ethylamino]benzonitrile IUPAC Name: 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethylamino]benzonitrile Traditional Name: 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethylamino]benzonitrile Formula: C20H22F3N4+ MolecularWeight: 375.41069

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC2=CC=CC=C2C#N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCNC2=CC=CC=C2C#N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N4/c21-20(22,23)17-5-3-6-18(14-17)27-12-10-26(11-13-27)9-8-25-19-7-2-1-4-16(19)15-24/h1-7,14,25H,8-13H2/p+1