N-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide Formula: C18H19F4N4O+ MolecularWeight: 383.363273

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)F)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)F)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H18F4N4O/c19-14-3-5-15(6-4-14)24-17(27)26-9-1-8-25(10-11-26)16-7-2-13(12-23-16)18(20,21)22/h2-7,12H,1,8-11H2,(H,24,27)/p+1