2-(azepan-1-ium-1-yl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide Formula: C15H19ClF3N2O+ MolecularWeight: 335.77237

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C15H18ClF3N2O/c16-13-6-5-11(9-12(13)15(17,18)19)20-14(22)10-21-7-3-1-2-4-8-21/h5-6,9H,1-4,7-8,10H2,(H,20,22)/p+1