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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O3/c1-14(26-17-4-2-16(20)3-5-17)19(24)22-13-15-6-7-21-18(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