2-[(6-bromanylpyren-1-yl)methylamino]-2-methyl-propane-1,3-diol hydrochloride

Systemtic Name: 2-[(6-bromanylpyren-1-yl)methylamino]-2-methyl-propane-1,3-diol hydrochloride Openeye Name: 2-[(6-bromopyren-1-yl)methylamino]-2-methyl-propane-1,3-diol hydrochloride CAS Name: 2-[(6-bromo-1-pyrenyl)methylamino]-2-methylpropane-1,3-diol hydrochloride IUPAC Name: 2-[(6-bromopyren-1-yl)methylamino]-2-methylpropane-1,3-diol hydrochloride Traditional Name: 2-[(6-bromopyren-1-yl)methylamino]-2-methyl-propane-1,3-diol hydrochloride Formula: C21H21BrClNO2 MolecularWeight: 434.75394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=C2C=CC3=C4C2=C(C=C1)C=CC4=C(C=C3)Br.Cl

Isomeric SMILES

CC(CO)(CO)NCC1=C2C=CC3=C4C2=C(C=C1)C=CC4=C(C=C3)Br.Cl

InChI

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