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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46BrNO.ClH/c1-3-5-7-9-11-15-22-35(23-16-12-10-8-6-4-2)24-21-33(36)28-20-19-27-26-32(34)30-18-14-13-17-29(30)31(27)25-28;/h13-14,17-20,25-26H,3-12,15-16,21-24H2,1-2H3;1H/p-1