(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(4-methylphenyl)-2-(1-pyrrolidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-acetonitrile Formula: C13H17N2+ MolecularWeight: 201.28748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#N)[NH+]2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C#N)[NH+]2CCCC2

InChI

InChI=1S/C13H16N2/c1-11-4-6-12(7-5-11)13(10-14)15-8-2-3-9-15/h4-7,13H,2-3,8-9H2,1H3/p+1/t13-/m0/s1