[(2S)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]propyl]azanium Traditional Name: [(2S)-3-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-hydroxy-propyl]ammonium Formula: C12H27N3O3+2 MolecularWeight: 261.36108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC(C[NH3+])O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)C[C@H](C[NH3+])O

InChI

InChI=1S/C12H25N3O3/c1-12(2,3)18-11(17)15-6-4-14(5-7-15)9-10(16)8-13/h10,16H,4-9,13H2,1-3H3/p+2/t10-/m0/s1