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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H23FN2O/c1-12-4-3-9-19(11-12)13(2)16(20)18-10-14-5-7-15(17)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,18,20)/p+1/t12-,13-/m0/s1