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

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]azanium Traditional Name: benzyl-[(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]ammonium Formula: C16H19BrNO+ MolecularWeight: 321.23216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C16H18BrNO/c1-2-15(14-10-13(17)8-9-16(14)19)18-11-12-6-4-3-5-7-12/h3-10,15,18-19H,2,11H2,1H3/p+1/t15-/m0/s1