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2-(pyren-1-ylmethylamino)butan-1-ol hydrochloride

2-(pyren-1-ylmethylamino)butan-1-ol hydrochloride

Systemtic Name:2-(pyren-1-ylmethylamino)butan-1-ol hydrochloride
Openeye Name:2-(pyren-1-ylmethylamino)butan-1-ol hydrochloride
CAS Name:2-(1-pyrenylmethylamino)-1-butanol hydrochloride
IUPAC Name:2-(pyren-1-ylmethylamino)butan-1-ol hydrochloride
Traditional Name:2-(pyren-1-ylmethylamino)butan-1-ol hydrochloride
Formula: C21H22ClNO
MolecularWeight: 339.85848
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Cl


Isomeric SMILES

CCC(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Cl


InChI

InChI=1S/C21H21NO.ClH/c1-2-18(13-23)22-12-17-9-8-16-7-6-14-4-3-5-15-10-11-19(17)21(16)20(14)15;/h3-11,18,22-23H,2,12-13H2,1H3;1H


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