ethyl 4-[(2R)-3-(2-methylbut-3-yn-2-yloxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-3-(2-methylbut-3-yn-2-yloxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-(1,1-dimethylprop-2-ynoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(2-methylbut-3-yn-2-yloxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(2-methylbut-3-yn-2-yloxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(1,1-dimethylprop-2-ynoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H27N2O4+ MolecularWeight: 299.38588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC(C)(C)C#C)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COC(C)(C)C#C)O

InChI

InChI=1S/C15H26N2O4/c1-5-15(3,4)21-12-13(18)11-16-7-9-17(10-8-16)14(19)20-6-2/h1,13,18H,6-12H2,2-4H3/p+1/t13-/m1/s1