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

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[(3R,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C17H26BrN2O+ MolecularWeight: 354.30514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O/c1-11-5-6-16(15(18)8-11)19-17(21)14(4)20-9-12(2)7-13(3)10-20/h5-6,8,12-14H,7,9-10H2,1-4H3,(H,19,21)/p+1/t12-,13+,14-/m0/s1