3-bromanyl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-bromanyl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-bromo-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-bromo-1-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-bromo-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-bromo-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-1-yl]propan-1-one Formula: C14H18BrF3N3O+ MolecularWeight: 381.21143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCBr)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCBr)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H17BrF3N3O/c15-5-4-13(22)21-7-1-6-20(8-9-21)12-3-2-11(10-19-12)14(16,17)18/h2-3,10H,1,4-9H2/p+1