N-(4-bromanyl-3-methyl-phenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propionamide Formula: C16H24BrN2O2+ MolecularWeight: 356.27796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCC(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCC(=O)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C16H23BrN2O2/c1-11-8-14(4-5-15(11)17)18-16(20)6-7-19-9-12(2)21-13(3)10-19/h4-5,8,12-13H,6-7,9-10H2,1-3H3,(H,18,20)/p+1/t12-,13-/m0/s1