(2S)-2-(3-methylphenyl)-2-morpholin-4-ium-4-yl-ethanenitrile

Systemtic Name: (2S)-2-(3-methylphenyl)-2-morpholin-4-ium-4-yl-ethanenitrile Openeye Name: (2S)-2-morpholin-4-ium-4-yl-2-(m-tolyl)acetonitrile CAS Name: (2S)-2-(3-methylphenyl)-2-(4-morpholin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(3-methylphenyl)-2-morpholin-4-ium-4-ylacetonitrile Traditional Name: (2S)-2-morpholin-4-ium-4-yl-2-(m-tolyl)acetonitrile Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O/c1-11-3-2-4-12(9-11)13(10-14)15-5-7-16-8-6-15/h2-4,9,13H,5-8H2,1H3/p+1/t13-/m1/s1