1-(phenylmethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Openeye Name: 1-benzyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-benzyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Traditional Name: 1-benzyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Formula: C17H20F3N3+2 MolecularWeight: 323.35601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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