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

Systemtic Name: [(2S)-3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C17H29BrNO2+ MolecularWeight: 359.32166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)[NH2+]CC(COC1=CC(=CC=C1)Br)O

Isomeric SMILES

CC(C)(C)CC(C)(C)[NH2+]C[C@@H](COC1=CC(=CC=C1)Br)O

InChI

InChI=1S/C17H28BrNO2/c1-16(2,3)12-17(4,5)19-10-14(20)11-21-15-8-6-7-13(18)9-15/h6-9,14,19-20H,10-12H2,1-5H3/p+1/t14-/m0/s1