ethyl 4-[(2R)-3-[(2-methylpropan-2-yl)oxy]-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-3-[(2-methylpropan-2-yl)oxy]-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-tert-butoxy-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-tert-butoxy-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H29N2O4+ MolecularWeight: 289.39106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H28N2O4/c1-5-19-13(18)16-8-6-15(7-9-16)10-12(17)11-20-14(2,3)4/h12,17H,5-11H2,1-4H3/p+1/t12-/m1/s1