diethyl-[(2S)-2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium

Systemtic Name: diethyl-[(2S)-2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]ammonium Formula: C21H38NO2+ MolecularWeight: 336.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)O

InChI

InChI=1S/C21H37NO2/c1-8-22(9-2)14-18(23)15-24-19-12-10-17(11-13-19)21(6,7)16-20(3,4)5/h10-13,18,23H,8-9,14-16H2,1-7H3/p+1/t18-/m0/s1