N-(5-azanyl-2-fluoranyl-phenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(5-azanyl-2-fluoranyl-phenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(5-amino-2-fluoro-phenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(5-amino-2-fluorophenyl)-3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(5-amino-2-fluorophenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(5-amino-2-fluoro-phenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C16H25FN3O+ MolecularWeight: 294.387603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)NC2=C(C=CC(=C2)N)F)C

Isomeric SMILES

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

InChI

InChI=1S/C16H24FN3O/c1-11-7-12(2)10-20(9-11)6-5-16(21)19-15-8-13(18)3-4-14(15)17/h3-4,8,11-12H,5-7,9-10,18H2,1-2H3,(H,19,21)/p+1/t11-,12-/m0/s1