[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-morpholin-4-ylpropyl)azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-morpholinopropyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(3-morpholin-4-ylpropyl)azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-morpholinopropyl)ammonium Formula: C16H26BrN2O2+ MolecularWeight: 358.29384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CCCN2CCOCC2

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CCCN2CCOCC2

InChI

InChI=1S/C16H25BrN2O2/c1-2-15(14-12-13(17)4-5-16(14)20)18-6-3-7-19-8-10-21-11-9-19/h4-5,12,15,18,20H,2-3,6-11H2,1H3/p+1/t15-/m0/s1