1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-(3-pyridylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-(3-pyridinylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(3-pyridylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C17H19F3N3+ MolecularWeight: 322.34807

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3/c18-17(19,20)15-4-1-5-16(11-15)23-9-7-22(8-10-23)13-14-3-2-6-21-12-14/h1-6,11-12H,7-10,13H2/p+1