[(1R)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-propyl-azanium

Systemtic Name: [(1R)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-propyl-azanium Openeye Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)propyl]-propyl-ammonium CAS Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)propyl]-propylammonium IUPAC Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)propyl]-propylazanium Traditional Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)propyl]-propyl-ammonium Formula: C12H19BrNO+ MolecularWeight: 273.18936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrNO/c1-3-7-14-11(4-2)10-8-9(13)5-6-12(10)15/h5-6,8,11,14-15H,3-4,7H2,1-2H3/p+1/t11-/m1/s1