3-(4-bromanyl-2-propan-2-yl-phenoxy)propyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 3-(4-bromanyl-2-propan-2-yl-phenoxy)propyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 3-(4-bromo-2-isopropyl-phenoxy)propyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: 3-(4-bromo-2-propan-2-ylphenoxy)propyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 3-(4-bromo-2-propan-2-ylphenoxy)propyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: 3-(4-bromo-2-isopropyl-phenoxy)propyl-[(2S)-2-hydroxypropyl]ammonium Formula: C15H25BrNO2+ MolecularWeight: 331.2685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C[NH2+]CCCOC1=C(C=C(C=C1)Br)C(C)C)O

InChI

InChI=1S/C15H24BrNO2/c1-11(2)14-9-13(16)5-6-15(14)19-8-4-7-17-10-12(3)18/h5-6,9,11-12,17-18H,4,7-8,10H2,1-3H3/p+1/t12-/m0/s1