(2R)-2-(azepan-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-[4-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]propionamide Formula: C16H22F3N2O+ MolecularWeight: 315.35389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)[NH+]2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)[NH+]2CCCCCC2

InChI

InChI=1S/C16H21F3N2O/c1-12(21-10-4-2-3-5-11-21)15(22)20-14-8-6-13(7-9-14)16(17,18)19/h6-9,12H,2-5,10-11H2,1H3,(H,20,22)/p+1/t12-/m1/s1