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

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-2-(dihexylamino)propan-1-ol chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-2-(dihexylamino)propan-1-ol chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-2-(dihexylamino)-1-propanol chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-2-(dihexylamino)propan-1-ol chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-2-(dihexylamino)propan-1-ol chloride Formula: C29H40BrClNO- MolecularWeight: 533.991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40BrNO.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;/h10-11,14-17,20-22,29,32H,4-9,12-13,18-19H2,1-3H3;1H/p-1