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

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

Systemtic Name:2-methyl-2-(pyren-1-ylmethylamino)butane-1,3-diol chloride
Openeye Name:2-methyl-2-(pyren-1-ylmethylamino)butane-1,3-diol chloride
CAS Name:2-methyl-2-(1-pyrenylmethylamino)butane-1,3-diol chloride
IUPAC Name:2-methyl-2-(pyren-1-ylmethylamino)butane-1,3-diol chloride
Traditional Name:2-methyl-2-(pyren-1-ylmethylamino)butane-1,3-diol chloride
Formula: C22H23ClNO2-
MolecularWeight: 368.87652
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O.[Cl-]


Isomeric SMILES

CC(C(C)(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O.[Cl-]


InChI

InChI=1S/C22H23NO2.ClH/c1-14(25)22(2,13-24)23-12-18-9-8-17-7-6-15-4-3-5-16-10-11-19(18)21(17)20(15)16;/h3-11,14,23-25H,12-13H2,1-2H3;1H/p-1


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