3-[[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]azaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]azaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]ammonio]propyl-diethyl-ammonium CAS Name: 3-[[(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]ammonio]propyl-diethylammonium IUPAC Name: 3-[[(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]azaniumyl]propyl-diethylazanium Traditional Name: 3-[[(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]ammonio]propyl-diethyl-ammonium Formula: C16H29BrN2O+2 MolecularWeight: 345.31826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27BrN2O/c1-4-15(14-12-13(17)8-9-16(14)20)18-10-7-11-19(5-2)6-3/h8-9,12,15,18,20H,4-7,10-11H2,1-3H3/p+2/t15-/m0/s1