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

Systemtic Name: [(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-bis(2-hydroxyethyl)azanium Openeye Name: [(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium CAS Name: [(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)ammonium IUPAC Name: [(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium Traditional Name: [(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium Formula: C17H30NO4+ MolecularWeight: 312.4244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO4/c1-17(2,3)14-4-6-16(7-5-14)22-13-15(21)12-18(8-10-19)9-11-20/h4-7,15,19-21H,8-13H2,1-3H3/p+1/t15-/m0/s1