[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-bis(2-hydroxyethyl)azanium

Systemtic Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-bis(2-hydroxyethyl)azanium Openeye Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium CAS Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)ammonium IUPAC Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium Traditional Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium Formula: C18H32NO5+ MolecularWeight: 342.45038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO5/c1-18(2,3)16-11-15(23-4)5-6-17(16)24-13-14(22)12-19(7-9-20)8-10-21/h5-6,11,14,20-22H,7-10,12-13H2,1-4H3/p+1/t14-/m0/s1