(2R)-4-(3-diethoxyphosphorylpropyl)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-4-ium-2-carboxylic acid

Systemtic Name: (2R)-4-(3-diethoxyphosphorylpropyl)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-4-ium-2-carboxylic acid Openeye Name: (2R)-1-tert-butoxycarbonyl-4-(3-diethoxyphosphorylpropyl)-4-methyl-piperazin-4-ium-2-carboxylic acid CAS Name: (2R)-4-(3-diethoxyphosphorylpropyl)-4-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazin-4-iumcarboxylic acid IUPAC Name: (2R)-4-(3-diethoxyphosphorylpropyl)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-4-ium-2-carboxylic acid Traditional Name: (2R)-1-tert-butoxycarbonyl-4-(3-diethoxyphosphorylpropyl)-4-methyl-piperazin-4-ium-2-carboxylic acid Formula: C18H36N2O7P+ MolecularWeight: 423.461401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35N2O7P/c1-7-25-28(24,26-8-2)13-9-11-20(6)12-10-19(15(14-20)16(21)22)17(23)27-18(3,4)5/h15H,7-14H2,1-6H3/p+1/t15-,20?/m1/s1