1-(9-bromanylphenanthren-3-yl)-2-(dipentylamino)propan-1-ol chloride

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-(dipentylamino)propan-1-ol chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-(dipentylamino)propan-1-ol chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(dipentylamino)-1-propanol chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(dipentylamino)propan-1-ol chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-(diamylamino)propan-1-ol chloride Formula: C27H36BrClNO- MolecularWeight: 505.93784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36BrNO.ClH/c1-4-6-10-16-29(17-11-7-5-2)20(3)27(30)22-15-14-21-19-26(28)24-13-9-8-12-23(24)25(21)18-22;/h8-9,12-15,18-20,27,30H,4-7,10-11,16-17H2,1-3H3;1H/p-1