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

Systemtic Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-(2-hydroxyethyl)ammonium CAS Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-(2-hydroxyethyl)azanium Traditional Name: benzyl-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-(2-hydroxyethyl)ammonium Formula: C23H34NO4+ MolecularWeight: 388.52036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(C[NH+](CCO)CC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OC[C@H](C[NH+](CCO)CC2=CC=CC=C2)O

InChI

InChI=1S/C23H33NO4/c1-23(2,3)21-14-20(27-4)10-11-22(21)28-17-19(26)16-24(12-13-25)15-18-8-6-5-7-9-18/h5-11,14,19,25-26H,12-13,15-17H2,1-4H3/p+1/t19-/m0/s1