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

Systemtic Name: 1-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-4-ium Openeye Name: 1-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-4-ium CAS Name: 1-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepan-4-ium IUPAC Name: 1-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-4-ium Traditional Name: 1-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-4-ium Formula: C10H14F3N4+ MolecularWeight: 247.24017

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C10H13F3N4/c11-10(12,13)8-2-4-15-9(16-8)17-6-1-3-14-5-7-17/h2,4,14H,1,3,5-7H2/p+1