(2S)-2-(4-fluoranylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-(4-fluoranylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(4-fluorophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)butanamide CAS Name: (2S)-2-(4-fluorophenoxy)-N-(1-propyl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(4-fluorophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(4-fluorophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)butyramide Formula: C18H28FN2O2+ MolecularWeight: 323.425523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C(CC)OC2=CC=C(C=C2)F

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)[C@H](CC)OC2=CC=C(C=C2)F

InChI

InChI=1S/C18H27FN2O2/c1-3-11-21-12-9-15(10-13-21)20-18(22)17(4-2)23-16-7-5-14(19)6-8-16/h5-8,15,17H,3-4,9-13H2,1-2H3,(H,20,22)/p+1/t17-/m0/s1