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

Systemtic Name: 2-propan-2-yl-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride Openeye Name: 2-isopropyl-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride CAS Name: 2-propan-2-yl-2-(1-pyrenylmethylamino)propane-1,3-diol hydrochloride IUPAC Name: 2-propan-2-yl-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride Traditional Name: 2-isopropyl-2-(pyren-1-ylmethylamino)propane-1,3-diol hydrochloride Formula: C23H26ClNO2 MolecularWeight: 383.91104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO2.ClH/c1-15(2)23(13-25,14-26)24-12-19-9-8-18-7-6-16-4-3-5-17-10-11-20(19)22(18)21(16)17;/h3-11,15,24-26H,12-14H2,1-2H3;1H