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

Systemtic Name: [(2S)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-bis(2-hydroxyethyl)azanium Openeye Name: [(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium CAS Name: [(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)ammonium IUPAC Name: [(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium Traditional Name: [(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium Formula: C13H21ClNO4+ MolecularWeight: 290.76314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(C[NH+](CCO)CCO)O)Cl

Isomeric SMILES

C1=CC(=CC=C1OC[C@H](C[NH+](CCO)CCO)O)Cl

InChI

InChI=1S/C13H20ClNO4/c14-11-1-3-13(4-2-11)19-10-12(18)9-15(5-7-16)6-8-17/h1-4,12,16-18H,5-10H2/p+1/t12-/m0/s1