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

Systemtic Name: N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C19H22F3N4O+ MolecularWeight: 379.39939

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H21F3N4O/c20-19(21,22)15-7-8-17(23-13-15)26-10-4-9-25(11-12-26)14-18(27)24-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2,(H,24,27)/p+1