(2R)-2-(2-methylphenyl)-2-morpholin-4-ium-4-yl-ethanenitrile

Systemtic Name: (2R)-2-(2-methylphenyl)-2-morpholin-4-ium-4-yl-ethanenitrile Openeye Name: (2R)-2-morpholin-4-ium-4-yl-2-(o-tolyl)acetonitrile CAS Name: (2R)-2-(2-methylphenyl)-2-(4-morpholin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetonitrile Traditional Name: (2R)-2-morpholin-4-ium-4-yl-2-(o-tolyl)acetonitrile Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)[NH+]2CCOCC2

Isomeric SMILES

CC1=CC=CC=C1[C@H](C#N)[NH+]2CCOCC2

InChI

InChI=1S/C13H16N2O/c1-11-4-2-3-5-12(11)13(10-14)15-6-8-16-9-7-15/h2-5,13H,6-9H2,1H3/p+1/t13-/m0/s1