2-(chrysen-6-ylmethylamino)-2-propan-2-yl-propane-1,3-diol trihydrochloride

Systemtic Name: 2-(chrysen-6-ylmethylamino)-2-propan-2-yl-propane-1,3-diol trihydrochloride Openeye Name: 2-(chrysen-6-ylmethylamino)-2-isopropyl-propane-1,3-diol trihydrochloride CAS Name: 2-(6-chrysenylmethylamino)-2-propan-2-ylpropane-1,3-diol trihydrochloride IUPAC Name: 2-(chrysen-6-ylmethylamino)-2-propan-2-ylpropane-1,3-diol trihydrochloride Traditional Name: 2-(chrysen-6-ylmethylamino)-2-isopropyl-propane-1,3-diol trihydrochloride Formula: C25H30Cl3NO2 MolecularWeight: 482.8702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)(CO)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41.Cl.Cl.Cl

Isomeric SMILES

CC(C)C(CO)(CO)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41.Cl.Cl.Cl

InChI

InChI=1S/C25H27NO2.3ClH/c1-17(2)25(15-27,16-28)26-14-19-13-24-20-8-4-3-7-18(20)11-12-23(24)22-10-6-5-9-21(19)22;;;/h3-13,17,26-28H,14-16H2,1-2H3;3*1H