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

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-cycloheptyl-azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-cycloheptyl-ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-cycloheptylammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-cycloheptylazanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-cycloheptyl-ammonium Formula: C16H25BrNO+ MolecularWeight: 327.2798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]C2CCCCCC2

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]C2CCCCCC2

InChI

InChI=1S/C16H24BrNO/c1-2-15(14-11-12(17)9-10-16(14)19)18-13-7-5-3-4-6-8-13/h9-11,13,15,18-19H,2-8H2,1H3/p+1/t15-/m0/s1