tert-butyl (2R)-4-(3-diethoxyphosphorylpropyl)-2-(hydroxymethyl)-4-methyl-piperazin-4-ium-1-carboxylate iodide

Systemtic Name: tert-butyl (2R)-4-(3-diethoxyphosphorylpropyl)-2-(hydroxymethyl)-4-methyl-piperazin-4-ium-1-carboxylate iodide Openeye Name: tert-butyl (2R)-4-(3-diethoxyphosphorylpropyl)-2-(hydroxymethyl)-4-methyl-piperazin-4-ium-1-carboxylate iodide CAS Name: (2R)-4-(3-diethoxyphosphorylpropyl)-2-(hydroxymethyl)-4-methyl-1-piperazin-4-iumcarboxylic acid tert-butyl ester iodide IUPAC Name: tert-butyl (2R)-4-(3-diethoxyphosphorylpropyl)-2-(hydroxymethyl)-4-methylpiperazin-4-ium-1-carboxylate iodide Traditional Name: (2R)-4-(3-diethoxyphosphorylpropyl)-4-methyl-2-methylol-piperazin-4-ium-1-carboxylic acid tert-butyl ester iodide Formula: C18H38IN2O6P MolecularWeight: 536.382351

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC[N+]1(CCN(C(C1)CO)C(=O)OC(C)(C)C)C)OCC.[I-]

Isomeric SMILES

CCOP(=O)(CCC[N+]1(CCN([C@H](C1)CO)C(=O)OC(C)(C)C)C)OCC.[I-]

InChI

InChI=1S/C18H38N2O6P.HI/c1-7-24-27(23,25-8-2)13-9-11-20(6)12-10-19(16(14-20)15-21)17(22)26-18(3,4)5;/h16,21H,7-15H2,1-6H3;1H/q+1;/p-1/t16-,20?;/m1./s1