2,2-dimethyl-5-(pyren-1-ylmethylamino)pentan-1-ol hydrochloride

Systemtic Name: 2,2-dimethyl-5-(pyren-1-ylmethylamino)pentan-1-ol hydrochloride Openeye Name: 2,2-dimethyl-5-(pyren-1-ylmethylamino)pentan-1-ol hydrochloride CAS Name: 2,2-dimethyl-5-(1-pyrenylmethylamino)-1-pentanol hydrochloride IUPAC Name: 2,2-dimethyl-5-(pyren-1-ylmethylamino)pentan-1-ol hydrochloride Traditional Name: 2,2-dimethyl-5-(pyren-1-ylmethylamino)pentan-1-ol hydrochloride Formula: C24H28ClNO MolecularWeight: 381.93822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)CO.Cl

Isomeric SMILES

CC(C)(CCCNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)CO.Cl

InChI

InChI=1S/C24H27NO.ClH/c1-24(2,16-26)13-4-14-25-15-20-10-9-19-8-7-17-5-3-6-18-11-12-21(20)23(19)22(17)18;/h3,5-12,25-26H,4,13-16H2,1-2H3;1H