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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-4-ium Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-4-ium CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1,4-diazepan-4-ium IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-4-ium Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepan-4-ium Formula: C11H15ClF3N3+2 MolecularWeight: 281.70511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClF3N3/c12-9-6-8(11(13,14)15)7-17-10(9)18-4-1-2-16-3-5-18/h6-7,16H,1-5H2/p+2