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

Systemtic Name: N-tert-butyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-tert-butyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide CAS Name: N-tert-butyl-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-tert-butyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-tert-butyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-1,4-diazepane-1-carboxamide Formula: C16H24F3N4O+ MolecularWeight: 345.38317

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)N1CCCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H23F3N4O/c1-15(2,3)21-14(24)23-8-4-7-22(9-10-23)13-6-5-12(11-20-13)16(17,18)19/h5-6,11H,4,7-10H2,1-3H3,(H,21,24)/p+1