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

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

Systemtic Name:1-phenyl-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride
Openeye Name:1-phenyl-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride
CAS Name:1-phenyl-2-(1-pyrenylmethylamino)propane-1,3-diol hydrochloride
IUPAC Name:1-phenyl-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride
Traditional Name:1-phenyl-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride
Formula: C26H24ClNO2
MolecularWeight: 417.92726
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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


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