3-[(3S,4R,6S)-4-ethynyl-3,6-dimethyl-4-oxidanyl-piperidin-1-ium-3-yl]propanenitrile

Systemtic Name: 3-[(3S,4R,6S)-4-ethynyl-3,6-dimethyl-4-oxidanyl-piperidin-1-ium-3-yl]propanenitrile Openeye Name: 3-[(3S,4R,6S)-4-ethynyl-4-hydroxy-3,6-dimethyl-piperidin-1-ium-3-yl]propanenitrile CAS Name: 3-[(3S,4R,6S)-4-ethynyl-4-hydroxy-3,6-dimethyl-3-piperidin-1-iumyl]propanenitrile IUPAC Name: 3-[(3S,4R,6S)-4-ethynyl-4-hydroxy-3,6-dimethylpiperidin-1-ium-3-yl]propanenitrile Traditional Name: 3-[(3S,4R,6S)-4-ethynyl-4-hydroxy-3,6-dimethyl-piperidin-1-ium-3-yl]propionitrile Formula: C12H19N2O+ MolecularWeight: 207.29206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH2+]1)(C)CCC#N)(C#C)O

Isomeric SMILES

C[C@H]1C[C@]([C@@](C[NH2+]1)(C)CCC#N)(C#C)O

InChI

InChI=1S/C12H18N2O/c1-4-12(15)8-10(2)14-9-11(12,3)6-5-7-13/h1,10,14-15H,5-6,8-9H2,2-3H3/p+1/t10-,11-,12-/m0/s1