[(2R)-3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]-(2-hydroxyethyl)-(phenylmethyl)azanium

Systemtic Name: [(2R)-3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxy-propyl]-(2-hydroxyethyl)ammonium CAS Name: [(2R)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]-(2-hydroxyethyl)azanium Traditional Name: benzyl-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxy-propyl]-(2-hydroxyethyl)ammonium Formula: C22H32NO3+ MolecularWeight: 358.49438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(C[NH+](CCO)CC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC[C@@H](C[NH+](CCO)CC2=CC=CC=C2)O

InChI

InChI=1S/C22H31NO3/c1-22(2,3)20-11-7-8-12-21(20)26-17-19(25)16-23(13-14-24)15-18-9-5-4-6-10-18/h4-12,19,24-25H,13-17H2,1-3H3/p+1/t19-/m1/s1