ethyl-[(2S)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[(2S)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]ammonium CAS Name: ethyl-[(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]azanium Traditional Name: benzyl-ethyl-[(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(COC2=CC(=CC(=C2C)C)C)O

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C[C@@H](COC2=CC(=CC(=C2C)C)C)O

InChI

InChI=1S/C21H29NO2/c1-5-22(13-19-9-7-6-8-10-19)14-20(23)15-24-21-12-16(2)11-17(3)18(21)4/h6-12,20,23H,5,13-15H2,1-4H3/p+1/t20-/m0/s1