2-(4-bromanylphenoxy)-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]ethanamide Openeye Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-(4-bromophenoxy)acetamide CAS Name: 2-(4-bromophenoxy)-N-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]acetamide IUPAC Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-(4-bromophenoxy)acetamide Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CNC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O3/c21-17-6-8-18(9-7-17)26-15-20(24)22-12-19-14-23(10-11-25-19)13-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,22,24)/p+1/t19-/m0/s1