4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butanenitrile Openeye Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butanenitrile CAS Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]butanenitrile IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butanenitrile Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butyronitrile Formula: C11H21N2+ MolecularWeight: 181.29784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2/c1-10-7-11(2)9-13(8-10)6-4-3-5-12/h10-11H,3-4,6-9H2,1-2H3/p+1/t10-,11-/m0/s1