(2S)-N-(4-bromophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-bromophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-bromophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-bromophenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-bromophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-bromophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C16H24BrN2O+ MolecularWeight: 340.27856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C)C(=O)NC2=CC=C(C=C2)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O/c1-11-8-12(2)10-19(9-11)13(3)16(20)18-15-6-4-14(17)5-7-15/h4-7,11-13H,8-10H2,1-3H3,(H,18,20)/p+1/t11-,12-,13+/m1/s1