bis(2-hydroxyethyl)-[(2R)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]azanium

Systemtic Name: bis(2-hydroxyethyl)-[(2R)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]azanium Openeye Name: bis(2-hydroxyethyl)-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]ammonium CAS Name: bis(2-hydroxyethyl)-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]azanium Traditional Name: bis(2-hydroxyethyl)-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]ammonium Formula: C16H28NO4+ MolecularWeight: 298.39782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(C[NH+](CCO)CCO)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC[C@@H](C[NH+](CCO)CCO)O)C)C

InChI

InChI=1S/C16H27NO4/c1-12-8-13(2)14(3)16(9-12)21-11-15(20)10-17(4-6-18)5-7-19/h8-9,15,18-20H,4-7,10-11H2,1-3H3/p+1/t15-/m1/s1