2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C20H21F3N5O+ MolecularWeight: 404.40885

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3N=N2)CC(=O)NC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3N=N2)CC(=O)NC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H20F3N5O/c21-20(22,23)15-5-1-2-6-16(15)24-19(29)13-27-11-9-14(10-12-27)28-18-8-4-3-7-17(18)25-26-28/h1-8,14H,9-13H2,(H,24,29)/p+1