3-(azepan-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C16H22F3N2O+ MolecularWeight: 315.35389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21F3N2O/c17-16(18,19)13-6-5-7-14(12-13)20-15(22)8-11-21-9-3-1-2-4-10-21/h5-7,12H,1-4,8-11H2,(H,20,22)/p+1