1-(6-bromanylphenanthren-9-yl)-2-(diheptylamino)ethanol chloride

Systemtic Name: 1-(6-bromanylphenanthren-9-yl)-2-(diheptylamino)ethanol chloride Openeye Name: 1-(6-bromo-9-phenanthryl)-2-(diheptylamino)ethanol chloride CAS Name: 1-(6-bromo-9-phenanthrenyl)-2-(diheptylamino)ethanol chloride IUPAC Name: 1-(6-bromophenanthren-9-yl)-2-(diheptylamino)ethanol chloride Traditional Name: 1-(6-bromo-9-phenanthryl)-2-(diheptylamino)ethanol chloride Formula: C30H42BrClNO- MolecularWeight: 548.01758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCC)CC(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)O.[Cl-]

Isomeric SMILES

CCCCCCCN(CCCCCCC)CC(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)O.[Cl-]

InChI

InChI=1S/C30H42BrNO.ClH/c1-3-5-7-9-13-19-32(20-14-10-8-6-4-2)23-30(33)29-21-24-15-11-12-16-26(24)28-22-25(31)17-18-27(28)29;/h11-12,15-18,21-22,30,33H,3-10,13-14,19-20,23H2,1-2H3;1H/p-1