1-[3-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-4-ium

Systemtic Name: 1-[3-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-4-ium Openeye Name: 1-[3-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-4-ium CAS Name: 1-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1,4-diazepan-4-ium IUPAC Name: 1-[3-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-4-ium Traditional Name: 1-[3-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-4-ium Formula: C11H16F3N3+2 MolecularWeight: 247.26005

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=C(C=CC=[NH+]2)C(F)(F)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=C(C=CC=[NH+]2)C(F)(F)F

InChI

InChI=1S/C11H14F3N3/c12-11(13,14)9-3-1-5-16-10(9)17-7-2-4-15-6-8-17/h1,3,5,15H,2,4,6-8H2/p+2