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

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C19H23BrN3O3+ MolecularWeight: 421.30822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O3/c1-14(26-17-5-3-16(20)4-6-17)19(24)22-13-15-2-7-18(21-12-15)23-8-10-25-11-9-23/h2-7,12,14H,8-11,13H2,1H3,(H,22,24)/p+1/t14-/m0/s1