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2-methyl-2-(pyren-4-ylmethylamino)propane-1,3-diol chloride

2-methyl-2-(pyren-4-ylmethylamino)propane-1,3-diol chloride

Systemtic Name:2-methyl-2-(pyren-4-ylmethylamino)propane-1,3-diol chloride
Openeye Name:2-methyl-2-(pyren-4-ylmethylamino)propane-1,3-diol chloride
CAS Name:2-methyl-2-(4-pyrenylmethylamino)propane-1,3-diol chloride
IUPAC Name:2-methyl-2-(pyren-4-ylmethylamino)propane-1,3-diol chloride
Traditional Name:2-methyl-2-(pyren-4-ylmethylamino)propane-1,3-diol chloride
Formula: C21H21ClNO2-
MolecularWeight: 354.84994
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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3.[Cl-]


Isomeric SMILES

CC(CO)(CO)NCC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3.[Cl-]


InChI

InChI=1S/C21H21NO2.ClH/c1-21(12-23,13-24)22-11-17-10-16-6-2-4-14-8-9-15-5-3-7-18(17)20(15)19(14)16;/h2-10,22-24H,11-13H2,1H3;1H/p-1


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