2-methyl-2-(perylen-3-ylmethylamino)propane-1,3-diol hydrochloride

Systemtic Name: 2-methyl-2-(perylen-3-ylmethylamino)propane-1,3-diol hydrochloride Openeye Name: 2-methyl-2-(perylen-3-ylmethylamino)propane-1,3-diol hydrochloride CAS Name: 2-methyl-2-(3-perylenylmethylamino)propane-1,3-diol hydrochloride IUPAC Name: 2-methyl-2-(perylen-3-ylmethylamino)propane-1,3-diol hydrochloride Traditional Name: 2-methyl-2-(perylen-3-ylmethylamino)propane-1,3-diol hydrochloride Formula: C25H24ClNO2 MolecularWeight: 405.91656

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5.Cl

Isomeric SMILES

CC(CO)(CO)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5.Cl

InChI

InChI=1S/C25H23NO2.ClH/c1-25(14-27,15-28)26-13-17-11-12-22-20-9-3-6-16-5-2-8-19(23(16)20)21-10-4-7-18(17)24(21)22;/h2-12,26-28H,13-15H2,1H3;1H