(2S)-2-(2-bromanyl-4-chloranyl-phenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide

Systemtic Name: (2S)-2-(2-bromanyl-4-chloranyl-phenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: (2S)-2-(2-bromo-4-chloro-phenoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propanamide CAS Name: (2S)-2-(2-bromo-4-chlorophenoxy)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: (2S)-2-(2-bromo-4-chlorophenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: (2S)-2-(2-bromo-4-chloro-phenoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C19H22BrClN3O3+ MolecularWeight: 455.75328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

C[C@@H](C(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C19H21BrClN3O3/c1-13(27-17-4-3-15(21)10-16(17)20)19(25)23-12-14-2-5-18(22-11-14)24-6-8-26-9-7-24/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,25)/p+1/t13-/m0/s1