tert-butyl (2S,5S)-4-(3-diethoxyphosphorylpropyl)-2-(hydroxymethyl)-4-methyl-5-propan-2-yl-piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (2S,5S)-4-(3-diethoxyphosphorylpropyl)-2-(hydroxymethyl)-4-methyl-5-propan-2-yl-piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (2S,5S)-4-(3-diethoxyphosphorylpropyl)-2-(hydroxymethyl)-5-isopropyl-4-methyl-piperazin-4-ium-1-carboxylate CAS Name: (2S,5S)-4-(3-diethoxyphosphorylpropyl)-2-(hydroxymethyl)-4-methyl-5-propan-2-yl-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5S)-4-(3-diethoxyphosphorylpropyl)-2-(hydroxymethyl)-4-methyl-5-propan-2-ylpiperazin-4-ium-1-carboxylate Traditional Name: (2S,5S)-4-(3-diethoxyphosphorylpropyl)-5-isopropyl-4-methyl-2-methylol-piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C21H44N2O6P+ MolecularWeight: 451.557621

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC[N+]1(CC(N(CC1C(C)C)C(=O)OC(C)(C)C)CO)C)OCC

Isomeric SMILES

CCOP(=O)(CCC[N+]1(C[C@H](N(C[C@@H]1C(C)C)C(=O)OC(C)(C)C)CO)C)OCC

InChI

InChI=1S/C21H44N2O6P/c1-9-27-30(26,28-10-2)13-11-12-23(8)15-18(16-24)22(14-19(23)17(3)4)20(25)29-21(5,6)7/h17-19,24H,9-16H2,1-8H3/q+1/t18-,19+,23?/m0/s1