bis(2-hydroxyethyl)-[(2S)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: bis(2-hydroxyethyl)-[(2S)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]azanium Openeye Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(4-nitrophenoxy)propyl]ammonium CAS Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(4-nitrophenoxy)propyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(4-nitrophenoxy)propyl]azanium Traditional Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(4-nitrophenoxy)propyl]ammonium Formula: C13H21N2O6+ MolecularWeight: 301.31564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC(C[NH+](CCO)CCO)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC[C@H](C[NH+](CCO)CCO)O

InChI

InChI=1S/C13H20N2O6/c16-7-5-14(6-8-17)9-12(18)10-21-13-3-1-11(2-4-13)15(19)20/h1-4,12,16-18H,5-10H2/p+1/t12-/m0/s1