(2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H24FN2O+ MolecularWeight: 279.372963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=CC(=C(C=C2)C)F

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC(=C(C=C2)C)F

InChI

InChI=1S/C16H23FN2O/c1-11-5-4-8-19(10-11)13(3)16(20)18-14-7-6-12(2)15(17)9-14/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,18,20)/p+1/t11-,13-/m0/s1