2-methyl-2-(pyren-4-ylmethylamino)propan-1-ol hydrochloride

Systemtic Name: 2-methyl-2-(pyren-4-ylmethylamino)propan-1-ol hydrochloride Openeye Name: 2-methyl-2-(pyren-4-ylmethylamino)propan-1-ol hydrochloride CAS Name: 2-methyl-2-(4-pyrenylmethylamino)-1-propanol hydrochloride IUPAC Name: 2-methyl-2-(pyren-4-ylmethylamino)propan-1-ol hydrochloride Traditional Name: 2-methyl-2-(pyren-4-ylmethylamino)propan-1-ol hydrochloride Formula: C21H22ClNO MolecularWeight: 339.85848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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