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

Systemtic Name: 1-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-4-ium Openeye Name: 1-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-4-ium CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-4-ium IUPAC Name: 1-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-4-ium Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-4-ium Formula: C11H15F3N3+ MolecularWeight: 246.25211

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C11H14F3N3/c12-11(13,14)9-2-3-10(16-8-9)17-6-1-4-15-5-7-17/h2-3,8,15H,1,4-7H2/p+1