(2S)-1-[2,4-bis(bromanyl)phenoxy]-3-morpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: (2S)-1-[2,4-bis(bromanyl)phenoxy]-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-(2,4-dibromophenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(2,4-dibromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-(2,4-dibromophenoxy)-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C13H18Br2NO3+ MolecularWeight: 396.09492

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(COC2=C(C=C(C=C2)Br)Br)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](COC2=C(C=C(C=C2)Br)Br)O

InChI

InChI=1S/C13H17Br2NO3/c14-10-1-2-13(12(15)7-10)19-9-11(17)8-16-3-5-18-6-4-16/h1-2,7,11,17H,3-6,8-9H2/p+1/t11-/m0/s1