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

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-(diheptylamino)propan-1-one chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-(diheptylamino)propan-1-one chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(diheptylamino)-1-propanone chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(diheptylamino)propan-1-one chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-(diheptylamino)propan-1-one chloride Formula: C31H42BrClNO- MolecularWeight: 560.02828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42BrNO.ClH/c1-4-6-8-10-14-20-33(21-15-11-9-7-5-2)24(3)31(34)26-19-18-25-23-30(32)28-17-13-12-16-27(28)29(25)22-26;/h12-13,16-19,22-24H,4-11,14-15,20-21H2,1-3H3;1H/p-1