2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-ium-1-yl]ethanol Openeye Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-ium-1-yl]ethanol CAS Name: 2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1,4-diazepan-1-ium-1-yl]ethanol IUPAC Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-ium-1-yl]ethanol Traditional Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-ium-1-yl]ethanol Formula: C13H20F3N3O+2 MolecularWeight: 291.31261

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)CCO

Isomeric SMILES

C1C[NH+](CCN(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)CCO

InChI

InChI=1S/C13H18F3N3O/c14-13(15,16)11-2-3-12(17-10-11)19-5-1-4-18(6-7-19)8-9-20/h2-3,10,20H,1,4-9H2/p+2