1-phenyl-2-(pyren-1-ylmethylamino)propane-1,3-diol chloride

Systemtic Name: 1-phenyl-2-(pyren-1-ylmethylamino)propane-1,3-diol chloride Openeye Name: 1-phenyl-2-(pyren-1-ylmethylamino)propane-1,3-diol chloride CAS Name: 1-phenyl-2-(1-pyrenylmethylamino)propane-1,3-diol chloride IUPAC Name: 1-phenyl-2-(pyren-1-ylmethylamino)propane-1,3-diol chloride Traditional Name: 1-phenyl-2-(pyren-1-ylmethylamino)propane-1,3-diol chloride Formula: C26H23ClNO2- MolecularWeight: 416.91932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CO)NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(CO)NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O.[Cl-]

InChI

InChI=1S/C26H23NO2.ClH/c28-16-23(26(29)20-5-2-1-3-6-20)27-15-21-12-11-19-10-9-17-7-4-8-18-13-14-22(21)25(19)24(17)18;/h1-14,23,26-29H,15-16H2;1H/p-1