1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-2-naphthol Formula: C21H22F3N3O+2 MolecularWeight: 389.41409

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O/c22-21(23,24)16-6-8-20(25-13-16)27-11-9-26(10-12-27)14-18-17-4-2-1-3-15(17)5-7-19(18)28/h1-8,13,28H,9-12,14H2/p+2