2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetonitrile CAS Name: 2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetonitrile Traditional Name: 2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetonitrile Formula: C9H17N2+ MolecularWeight: 153.24468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC#N)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CC#N)C

InChI

InChI=1S/C9H16N2/c1-8-4-3-5-9(2)11(8)7-6-10/h8-9H,3-5,7H2,1-2H3/p+1/t8-,9-/m0/s1