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

Systemtic Name: 2-ethyl-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride Openeye Name: 2-ethyl-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride CAS Name: 2-ethyl-2-(1-pyrenylmethylamino)propane-1,3-diol hydrochloride IUPAC Name: 2-ethyl-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride Traditional Name: 2-ethyl-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride Formula: C22H24ClNO2 MolecularWeight: 369.88446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Cl

Isomeric SMILES

CCC(CO)(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Cl

InChI

InChI=1S/C22H23NO2.ClH/c1-2-22(13-24,14-25)23-12-18-9-8-17-7-6-15-4-3-5-16-10-11-19(18)21(17)20(15)16;/h3-11,23-25H,2,12-14H2,1H3;1H