1-(9-bromanylphenanthren-3-yl)-2-(didecylamino)ethanone chloride

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-(didecylamino)ethanone chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-(didecylamino)ethanone chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(didecylamino)ethanone chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(didecylamino)ethanone chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-(didecylamino)ethanone chloride Formula: C36H52BrClNO- MolecularWeight: 630.16118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H52BrNO.ClH/c1-3-5-7-9-11-13-15-19-25-38(26-20-16-14-12-10-8-6-4-2)29-36(39)31-24-23-30-28-35(37)33-22-18-17-21-32(33)34(30)27-31;/h17-18,21-24,27-28H,3-16,19-20,25-26,29H2,1-2H3;1H/p-1