[(1S)-2-azaniumyl-1-(5-bromanyl-2-oxidanyl-phenyl)ethyl]-tert-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(5-bromanyl-2-oxidanyl-phenyl)ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-bromo-2-hydroxy-phenyl)ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-bromo-2-hydroxyphenyl)ethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-bromo-2-hydroxyphenyl)ethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(5-bromo-2-hydroxy-phenyl)ethyl]-tert-butyl-ethyl-ammonium Formula: C14H25BrN2O+2 MolecularWeight: 317.2651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C(C[NH3+])C1=C(C=CC(=C1)Br)O)C(C)(C)C

Isomeric SMILES

CC[NH+]([C@H](C[NH3+])C1=C(C=CC(=C1)Br)O)C(C)(C)C

InChI

InChI=1S/C14H23BrN2O/c1-5-17(14(2,3)4)12(9-16)11-8-10(15)6-7-13(11)18/h6-8,12,18H,5,9,16H2,1-4H3/p+2/t12-/m1/s1