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

Systemtic Name: 2-(hydroxymethyl)-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride Openeye Name: 2-(hydroxymethyl)-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride CAS Name: 2-(hydroxymethyl)-2-(1-pyrenylmethylamino)propane-1,3-diol hydrochloride IUPAC Name: 2-(hydroxymethyl)-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride Traditional Name: 2-methylol-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC(CO)(CO)CO.Cl

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC(CO)(CO)CO.Cl

InChI

InChI=1S/C21H21NO3.ClH/c23-11-21(12-24,13-25)22-10-17-7-6-16-5-4-14-2-1-3-15-8-9-18(17)20(16)19(14)15;/h1-9,22-25H,10-13H2;1H