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

Systemtic Name: 4-[4-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]benzonitrile CAS Name: 4-[4-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]benzonitrile Traditional Name: 4-[4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]benzonitrile Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C20H22N2O3/c21-13-16-1-3-17(4-2-16)18-5-7-20(8-6-18)25-15-19(23)14-22-9-11-24-12-10-22/h1-8,19,23H,9-12,14-15H2/p+1/t19-/m0/s1