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

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-3-(dibutylamino)propan-1-one chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-3-(dibutylamino)propan-1-one chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-3-(dibutylamino)-1-propanone chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-3-(dibutylamino)propan-1-one chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-3-(dibutylamino)propan-1-one chloride Formula: C25H30BrClNO- MolecularWeight: 475.8688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrNO.ClH/c1-3-5-14-27(15-6-4-2)16-13-25(28)20-12-11-19-18-24(26)22-10-8-7-9-21(22)23(19)17-20;/h7-12,17-18H,3-6,13-16H2,1-2H3;1H/p-1