(2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethanenitrile

Systemtic Name: (2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethanenitrile Openeye Name: (2R)-2-(4-isopropylphenyl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(1-piperidin-1-iumyl)-2-(4-propan-2-ylphenyl)acetonitrile IUPAC Name: (2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)acetonitrile Traditional Name: (2R)-2-p-cumenyl-2-piperidin-1-ium-1-yl-acetonitrile Formula: C16H23N2+ MolecularWeight: 243.36722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2/c1-13(2)14-6-8-15(9-7-14)16(12-17)18-10-4-3-5-11-18/h6-9,13,16H,3-5,10-11H2,1-2H3/p+1/t16-/m0/s1