4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 4-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-carbonyl]benzonitrile Formula: C20H19F3N3O+ MolecularWeight: 374.37957

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18F3N3O/c21-20(22,23)18-7-3-16(4-8-18)14-25-9-11-26(12-10-25)19(27)17-5-1-15(13-24)2-6-17/h1-8H,9-12,14H2/p+1