4-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzonitrile Formula: C14H19N2O3+ MolecularWeight: 263.31226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1COCC[NH+]1C[C@@H](COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C14H18N2O3/c15-9-12-1-3-14(4-2-12)19-11-13(17)10-16-5-7-18-8-6-16/h1-4,13,17H,5-8,10-11H2/p+1/t13-/m0/s1