2-[(8-bromanylpyren-1-yl)methylamino]-2-methyl-propane-1,3-diol hydrochloride

Systemtic Name: 2-[(8-bromanylpyren-1-yl)methylamino]-2-methyl-propane-1,3-diol hydrochloride Openeye Name: 2-[(8-bromopyren-1-yl)methylamino]-2-methyl-propane-1,3-diol hydrochloride CAS Name: 2-[(8-bromo-1-pyrenyl)methylamino]-2-methylpropane-1,3-diol hydrochloride IUPAC Name: 2-[(8-bromopyren-1-yl)methylamino]-2-methylpropane-1,3-diol hydrochloride Traditional Name: 2-[(8-bromopyren-1-yl)methylamino]-2-methyl-propane-1,3-diol hydrochloride Formula: C21H21BrClNO2 MolecularWeight: 434.75394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO2.ClH/c1-21(11-24,12-25)23-10-15-5-4-13-2-3-14-6-9-18(22)17-8-7-16(15)19(13)20(14)17;/h2-9,23-25H,10-12H2,1H3;1H