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

Systemtic Name: ethyl 1-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-[(2R)-2,6,6-trimethyl-2-oxanyl]prop-2-ynyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H32NO3+ MolecularWeight: 322.46228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC#CC2(CCCC(O2)(C)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC#C[C@]2(CCCC(O2)(C)C)C

InChI

InChI=1S/C19H31NO3/c1-5-22-17(21)16-8-14-20(15-9-16)13-7-12-19(4)11-6-10-18(2,3)23-19/h16H,5-6,8-11,13-15H2,1-4H3/p+1/t19-/m1/s1