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

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-3-(diheptylamino)propan-1-one chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-3-(diheptylamino)propan-1-one chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-3-(diheptylamino)-1-propanone chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-3-(diheptylamino)propan-1-one chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-3-(diheptylamino)propan-1-one chloride Formula: C31H42BrClNO- MolecularWeight: 560.02828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42BrNO.ClH/c1-3-5-7-9-13-20-33(21-14-10-8-6-4-2)22-19-31(34)26-18-17-25-24-30(32)28-16-12-11-15-27(28)29(25)23-26;/h11-12,15-18,23-24H,3-10,13-14,19-22H2,1-2H3;1H/p-1