(2S)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-yl-ethanenitrile Openeye Name: (2S)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2S)-2-(4-tert-butylphenyl)-2-(1-piperidin-1-iumyl)acetonitrile IUPAC Name: (2S)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-ylacetonitrile Traditional Name: (2S)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C17H25N2+ MolecularWeight: 257.3938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2/c1-17(2,3)15-9-7-14(8-10-15)16(13-18)19-11-5-4-6-12-19/h7-10,16H,4-6,11-12H2,1-3H3/p+1/t16-/m1/s1