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

Systemtic Name: 4-[(2S)-4,4-dimethyl-2-oxidanyl-morpholin-4-ium-2-yl]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-4,4-dimethyl-2-morpholin-4-iumyl]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl]benzonitrile Formula: C13H17N2O2+ MolecularWeight: 233.28628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N2O2/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/q+1/t13-/m1/s1