(3S)-N-[(3-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(3-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(3-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(3-fluorophenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(3-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(3-fluorobenzyl)piperidin-1-ium-3-carboxamide Formula: C13H18FN2O+ MolecularWeight: 237.293223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)NCC2=CC(=CC=C2)F

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)NCC2=CC(=CC=C2)F

InChI

InChI=1S/C13H17FN2O/c14-12-5-1-3-10(7-12)8-16-13(17)11-4-2-6-15-9-11/h1,3,5,7,11,15H,2,4,6,8-9H2,(H,16,17)/p+1/t11-/m0/s1