(2S)-N-[3-(azepan-1-ium-1-yl)propyl]-2-(4-fluoranylphenoxy)propanamide

Systemtic Name: (2S)-N-[3-(azepan-1-ium-1-yl)propyl]-2-(4-fluoranylphenoxy)propanamide Openeye Name: (2S)-N-[3-(azepan-1-ium-1-yl)propyl]-2-(4-fluorophenoxy)propanamide CAS Name: (2S)-N-[3-(1-azepan-1-iumyl)propyl]-2-(4-fluorophenoxy)propanamide IUPAC Name: (2S)-N-[3-(azepan-1-ium-1-yl)propyl]-2-(4-fluorophenoxy)propanamide Traditional Name: (2S)-N-[3-(azepan-1-ium-1-yl)propyl]-2-(4-fluorophenoxy)propionamide Formula: C18H28FN2O2+ MolecularWeight: 323.425523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC[NH+]1CCCCCC1)OC2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)OC2=CC=C(C=C2)F

InChI

InChI=1S/C18H27FN2O2/c1-15(23-17-9-7-16(19)8-10-17)18(22)20-11-6-14-21-12-4-2-3-5-13-21/h7-10,15H,2-6,11-14H2,1H3,(H,20,22)/p+1/t15-/m0/s1