1-(9-bromanylphenanthren-3-yl)-2-(dioctylamino)propan-1-one chloride

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-(dioctylamino)propan-1-one chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-(dioctylamino)propan-1-one chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(dioctylamino)-1-propanone chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(dioctylamino)propan-1-one chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-(dioctylamino)propan-1-one chloride Formula: C33H46BrClNO- MolecularWeight: 588.08144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(C)C(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.[Cl-]

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(C)C(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.[Cl-]

InChI

InChI=1S/C33H46BrNO.ClH/c1-4-6-8-10-12-16-22-35(23-17-13-11-9-7-5-2)26(3)33(36)28-21-20-27-25-32(34)30-19-15-14-18-29(30)31(27)24-28;/h14-15,18-21,24-26H,4-13,16-17,22-23H2,1-3H3;1H/p-1