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

Systemtic Name: 1-(diphenylmethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Openeye Name: 1-benzhydryl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-benzhydryl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Traditional Name: 1-benzhydryl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Formula: C23H24F3N3+2 MolecularWeight: 399.45197

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H22F3N3/c24-23(25,26)20-11-12-21(27-17-20)28-13-15-29(16-14-28)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,22H,13-16H2/p+2