(2R)-2-(3-methoxy-4-oxidanyl-phenyl)-2-morpholin-4-ium-4-yl-ethanenitrile

Systemtic Name: (2R)-2-(3-methoxy-4-oxidanyl-phenyl)-2-morpholin-4-ium-4-yl-ethanenitrile Openeye Name: (2R)-2-(4-hydroxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-acetonitrile CAS Name: (2R)-2-(4-hydroxy-3-methoxyphenyl)-2-(4-morpholin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile Traditional Name: (2R)-2-(4-hydroxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-acetonitrile Formula: C13H17N2O3+ MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C#N)[NH+]2CCOCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](C#N)[NH+]2CCOCC2)O

InChI

InChI=1S/C13H16N2O3/c1-17-13-8-10(2-3-12(13)16)11(9-14)15-4-6-18-7-5-15/h2-3,8,11,16H,4-7H2,1H3/p+1/t11-/m0/s1