(1S)-2-(azepan-1-ium-1-yl)-1-[4-(trifluoromethyloxy)phenyl]ethanamine

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-[4-(trifluoromethyloxy)phenyl]ethanamine Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine Traditional Name: [(1S)-2-(azepan-1-ium-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]amine Formula: C15H22F3N2O+ MolecularWeight: 303.34319

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C2=CC=C(C=C2)OC(F)(F)F)N

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H](C2=CC=C(C=C2)OC(F)(F)F)N

InChI

InChI=1S/C15H21F3N2O/c16-15(17,18)21-13-7-5-12(6-8-13)14(19)11-20-9-3-1-2-4-10-20/h5-8,14H,1-4,9-11,19H2/p+1/t14-/m1/s1