2-(4-bromanyl-2-propan-2-yl-phenoxy)ethyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 2-(4-bromanyl-2-propan-2-yl-phenoxy)ethyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 2-(4-bromo-2-isopropyl-phenoxy)ethyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: 2-(4-bromo-2-propan-2-ylphenoxy)ethyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 2-(4-bromo-2-propan-2-ylphenoxy)ethyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: 2-(4-bromo-2-isopropyl-phenoxy)ethyl-[(2S)-2-hydroxypropyl]ammonium Formula: C14H23BrNO2+ MolecularWeight: 317.24192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C[NH2+]CCOC1=C(C=C(C=C1)Br)C(C)C)O

InChI

InChI=1S/C14H22BrNO2/c1-10(2)13-8-12(15)4-5-14(13)18-7-6-16-9-11(3)17/h4-5,8,10-11,16-17H,6-7,9H2,1-3H3/p+1/t11-/m0/s1