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

Systemtic Name: 1-methyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-ium Formula: C12H18F3N3+2 MolecularWeight: 261.28663

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H16F3N3/c1-17-5-2-6-18(8-7-17)11-4-3-10(9-16-11)12(13,14)15/h3-4,9H,2,5-8H2,1H3/p+2