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

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-(didecylamino)propan-1-one chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-(didecylamino)propan-1-one chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(didecylamino)-1-propanone chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(didecylamino)propan-1-one chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-(didecylamino)propan-1-one chloride Formula: C37H54BrClNO- MolecularWeight: 644.18776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H54BrNO.ClH/c1-4-6-8-10-12-14-16-20-26-39(27-21-17-15-13-11-9-7-5-2)30(3)37(40)32-25-24-31-29-36(38)34-23-19-18-22-33(34)35(31)28-32;/h18-19,22-25,28-30H,4-17,20-21,26-27H2,1-3H3;1H/p-1