[(2S)-3-(3-ethyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-bis(2-hydroxyethyl)azanium

Systemtic Name: [(2S)-3-(3-ethyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-bis(2-hydroxyethyl)azanium Openeye Name: [(2S)-3-(3-ethyl-5-methyl-phenoxy)-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium CAS Name: [(2S)-3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)ammonium IUPAC Name: [(2S)-3-(3-ethyl-5-methylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium Traditional Name: [(2S)-3-(3-ethyl-5-methyl-phenoxy)-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium Formula: C16H28NO4+ MolecularWeight: 298.39782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C)OCC(C[NH+](CCO)CCO)O

Isomeric SMILES

CCC1=CC(=CC(=C1)C)OC[C@H](C[NH+](CCO)CCO)O

InChI

InChI=1S/C16H27NO4/c1-3-14-8-13(2)9-16(10-14)21-12-15(20)11-17(4-6-18)5-7-19/h8-10,15,18-20H,3-7,11-12H2,1-2H3/p+1/t15-/m0/s1