1-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperidin-1-ium-4-one

Systemtic Name: 1-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperidin-1-ium-4-one Openeye Name: 1-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperidin-1-ium-4-one CAS Name: 1-[3-[(2R)-2,6,6-trimethyl-2-oxanyl]prop-2-ynyl]-4-piperidin-1-iumone IUPAC Name: 1-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperidin-1-ium-4-one Traditional Name: 1-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperidin-1-ium-4-one Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(O1)(C)C#CC[NH+]2CCC(=O)CC2)C

Isomeric SMILES

C[C@@]1(CCCC(O1)(C)C)C#CC[NH+]2CCC(=O)CC2

InChI

InChI=1S/C16H25NO2/c1-15(2)8-4-9-16(3,19-15)10-5-11-17-12-6-14(18)7-13-17/h4,6-9,11-13H2,1-3H3/p+1/t16-/m1/s1