(2R)-2-(4-ethylphenyl)-2-piperidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(4-ethylphenyl)-2-piperidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(4-ethylphenyl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(4-ethylphenyl)-2-(1-piperidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(4-ethylphenyl)-2-piperidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(4-ethylphenyl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C15H21N2+ MolecularWeight: 229.34064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C#N)[NH+]2CCCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C#N)[NH+]2CCCCC2

InChI

InChI=1S/C15H20N2/c1-2-13-6-8-14(9-7-13)15(12-16)17-10-4-3-5-11-17/h6-9,15H,2-5,10-11H2,1H3/p+1/t15-/m0/s1