(2S,5R)-2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)piperidin-1-ium-4-one

Systemtic Name: (2S,5R)-2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)piperidin-1-ium-4-one Openeye Name: (2S,5R)-1-(1,1-dimethylprop-2-ynyl)-2,5-dimethyl-piperidin-1-ium-4-one CAS Name: (2S,5R)-2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-piperidin-1-iumone IUPAC Name: (2S,5R)-2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)piperidin-1-ium-4-one Traditional Name: (2S,5R)-1-(1,1-dimethylprop-2-ynyl)-2,5-dimethyl-piperidin-1-ium-4-one Formula: C12H20NO+ MolecularWeight: 194.2933

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C[NH+]1C(C)(C)C#C)C

Isomeric SMILES

C[C@H]1CC(=O)[C@@H](C[NH+]1C(C)(C)C#C)C

InChI

InChI=1S/C12H19NO/c1-6-12(4,5)13-8-9(2)11(14)7-10(13)3/h1,9-10H,7-8H2,2-5H3/p+1/t9-,10+/m1/s1