2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetonitrile CAS Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetonitrile Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetonitrile Formula: C9H17N2+ MolecularWeight: 153.24468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC#N)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC#N)C

InChI

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