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

Systemtic Name: (2R)-2-(3-ethoxy-4-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethanenitrile Openeye Name: (2R)-2-(3-ethoxy-4-methoxy-phenyl)-2-morpholin-4-ium-4-yl-acetonitrile CAS Name: (2R)-2-(3-ethoxy-4-methoxyphenyl)-2-(4-morpholin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(3-ethoxy-4-methoxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile Traditional Name: (2R)-2-(3-ethoxy-4-methoxy-phenyl)-2-morpholin-4-ium-4-yl-acetonitrile Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C#N)[NH+]2CCOCC2)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C#N)[NH+]2CCOCC2)OC

InChI

InChI=1S/C15H20N2O3/c1-3-20-15-10-12(4-5-14(15)18-2)13(11-16)17-6-8-19-9-7-17/h4-5,10,13H,3,6-9H2,1-2H3/p+1/t13-/m0/s1