N-aminocarbonyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-aminocarbonyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-carbamoyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-carbamoyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-carbamoyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-carbamoyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C14H19F3N5O2+ MolecularWeight: 346.32817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CC(=O)NC(=O)N

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CC(=O)NC(=O)N

InChI

InChI=1S/C14H18F3N5O2/c15-14(16,17)10-2-3-11(19-8-10)22-5-1-4-21(6-7-22)9-12(23)20-13(18)24/h2-3,8H,1,4-7,9H2,(H3,18,20,23,24)/p+1