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

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-(dipentylamino)ethanone chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-(dipentylamino)ethanone chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(dipentylamino)ethanone chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethanone chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-(diamylamino)ethanone chloride Formula: C26H32BrClNO- MolecularWeight: 489.89538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32BrNO.ClH/c1-3-5-9-15-28(16-10-6-4-2)19-26(29)21-14-13-20-18-25(27)23-12-8-7-11-22(23)24(20)17-21;/h7-8,11-14,17-18H,3-6,9-10,15-16,19H2,1-2H3;1H/p-1