(1S)-2-(azepan-1-ium-1-yl)-1-(2-fluorophenyl)ethanamine

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-fluorophenyl)ethanamine Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-fluorophenyl)ethanamine CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(2-fluorophenyl)ethanamine IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(2-fluorophenyl)ethanamine Traditional Name: [(1S)-2-(azepan-1-ium-1-yl)-1-(2-fluorophenyl)ethyl]amine Formula: C14H22FN2+ MolecularWeight: 237.336283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C2=CC=CC=C2F)N

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H](C2=CC=CC=C2F)N

InChI

InChI=1S/C14H21FN2/c15-13-8-4-3-7-12(13)14(16)11-17-9-5-1-2-6-10-17/h3-4,7-8,14H,1-2,5-6,9-11,16H2/p+1/t14-/m1/s1