[(2S)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-oxidanyl-propyl]-bis(2-hydroxyethyl)azanium

Systemtic Name: [(2S)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-oxidanyl-propyl]-bis(2-hydroxyethyl)azanium Openeye Name: [(2S)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium CAS Name: [(2S)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxypropyl]-bis(2-hydroxyethyl)ammonium IUPAC Name: [(2S)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium Traditional Name: [(2S)-3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium Formula: C17H30NO5+ MolecularWeight: 328.4238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCOCC(C[NH+](CCO)CCO)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCOC[C@H](C[NH+](CCO)CCO)O)C

InChI

InChI=1S/C17H29NO5/c1-14-3-4-17(11-15(14)2)23-10-9-22-13-16(21)12-18(5-7-19)6-8-20/h3-4,11,16,19-21H,5-10,12-13H2,1-2H3/p+1/t16-/m0/s1