[(2S)-3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]-bis(2-hydroxyethyl)azanium

Systemtic Name: [(2S)-3-(4-chloranyl-3,5-dimethyl-phenoxy)-2-oxidanyl-propyl]-bis(2-hydroxyethyl)azanium Openeye Name: [(2S)-3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium CAS Name: [(2S)-3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)ammonium IUPAC Name: [(2S)-3-(4-chloro-3,5-dimethylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium Traditional Name: [(2S)-3-(4-chloro-3,5-dimethyl-phenoxy)-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium Formula: C15H25ClNO4+ MolecularWeight: 318.8163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(C[NH+](CCO)CCO)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC[C@H](C[NH+](CCO)CCO)O

InChI

InChI=1S/C15H24ClNO4/c1-11-7-14(8-12(2)15(11)16)21-10-13(20)9-17(3-5-18)4-6-19/h7-8,13,18-20H,3-6,9-10H2,1-2H3/p+1/t13-/m0/s1