4-(3-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethyloxy)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethyloxy)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-2-pyridin-1-iumyl)-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide Formula: C19H19F3N5O2+ MolecularWeight: 406.38167

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C19H18F3N5O2/c20-19(21,22)29-16-6-4-15(5-7-16)25-18(28)27-10-2-9-26(11-12-27)17-14(13-23)3-1-8-24-17/h1,3-8H,2,9-12H2,(H,25,28)/p+1