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

Systemtic Name: ethyl 4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-[(2R)-2,6,6-trimethyl-2-oxanyl]prop-2-ynyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H31N2O3+ MolecularWeight: 323.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC#CC2(CCCC(O2)(C)C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC#C[C@]2(CCCC(O2)(C)C)C

InChI

InChI=1S/C18H30N2O3/c1-5-22-16(21)20-14-12-19(13-15-20)11-7-10-18(4)9-6-8-17(2,3)23-18/h5-6,8-9,11-15H2,1-4H3/p+1/t18-/m1/s1