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

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-(dihexylamino)propan-1-one chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-(dihexylamino)propan-1-one chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(dihexylamino)-1-propanone chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(dihexylamino)propan-1-one chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-(dihexylamino)propan-1-one chloride Formula: C29H38BrClNO- MolecularWeight: 531.97512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38BrNO.ClH/c1-4-6-8-12-18-31(19-13-9-7-5-2)22(3)29(32)24-17-16-23-21-28(30)26-15-11-10-14-25(26)27(23)20-24;/h10-11,14-17,20-22H,4-9,12-13,18-19H2,1-3H3;1H/p-1