4-[(2S)-4,4-dimethyl-2-oxidanyl-morpholin-4-ium-2-yl]benzenecarbonitrile bromide

Systemtic Name: 4-[(2S)-4,4-dimethyl-2-oxidanyl-morpholin-4-ium-2-yl]benzenecarbonitrile bromide Openeye Name: 4-[(2S)-2-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]benzonitrile bromide CAS Name: 4-[(2S)-2-hydroxy-4,4-dimethyl-2-morpholin-4-iumyl]benzonitrile bromide IUPAC Name: 4-[(2S)-2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl]benzonitrile bromide Traditional Name: 4-[(2S)-2-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]benzonitrile bromide Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C#N)O)C.[Br-]

Isomeric SMILES

C[N+]1(CCO[C@](C1)(C2=CC=C(C=C2)C#N)O)C.[Br-]

InChI

InChI=1S/C13H17N2O2.BrH/c1-15(2)7-8-17-13(16,10-15)12-5-3-11(9-14)4-6-12;/h3-6,16H,7-8,10H2,1-2H3;1H/q+1;/p-1/t13-;/m1./s1