2-methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol hydrate dihydrochloride

Systemtic Name: 2-methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol hydrate dihydrochloride Openeye Name: 2-methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol hydrate dihydrochloride CAS Name: 2-methyl-2-(2-triphenylenylmethylamino)propane-1,3-diol hydrate dihydrochloride IUPAC Name: 2-methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol hydrate dihydrochloride Traditional Name: 2-methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol hydrate dihydrochloride Formula: C46H50Cl2N2O5 MolecularWeight: 781.8056

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42.CC(CO)(CO)NCC1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42.O.Cl.Cl

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42.CC(CO)(CO)NCC1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42.O.Cl.Cl

InChI

InChI=1S/2C23H23NO2.2ClH.H2O/c2*1-23(14-25,15-26)24-13-16-10-11-21-19-8-3-2-6-17(19)18-7-4-5-9-20(18)22(21)12-16;;;/h2*2-12,24-26H,13-15H2,1H3;2*1H;1H2