[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(pyridin-2-ylmethyl)azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(2-pyridylmethyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(2-pyridinylmethyl)ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(pyridin-2-ylmethyl)azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(2-pyridylmethyl)ammonium Formula: C15H18BrN2O+ MolecularWeight: 322.22022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CC=CC=N2

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CC=CC=N2

InChI

InChI=1S/C15H17BrN2O/c1-2-14(13-9-11(16)6-7-15(13)19)18-10-12-5-3-4-8-17-12/h3-9,14,18-19H,2,10H2,1H3/p+1/t14-/m0/s1