2-methyl-2-(3-pyren-1-ylpropylamino)propane-1,3-diol hydrochloride

Systemtic Name: 2-methyl-2-(3-pyren-1-ylpropylamino)propane-1,3-diol hydrochloride Openeye Name: 2-methyl-2-(3-pyren-1-ylpropylamino)propane-1,3-diol hydrochloride CAS Name: 2-methyl-2-[3-(1-pyrenyl)propylamino]propane-1,3-diol hydrochloride IUPAC Name: 2-methyl-2-(3-pyren-1-ylpropylamino)propane-1,3-diol hydrochloride Traditional Name: 2-methyl-2-(3-pyren-1-ylpropylamino)propane-1,3-diol hydrochloride Formula: C23H26ClNO2 MolecularWeight: 383.91104

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Cl

Isomeric SMILES

CC(CO)(CO)NCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Cl

InChI

InChI=1S/C23H25NO2.ClH/c1-23(14-25,15-26)24-13-3-6-16-7-8-19-10-9-17-4-2-5-18-11-12-20(16)22(19)21(17)18;/h2,4-5,7-12,24-26H,3,6,13-15H2,1H3;1H