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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O.Cl

Isomeric SMILES

CC(CCNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O.Cl

InChI

InChI=1S/C21H21NO.ClH/c1-14(23)11-12-22-13-18-8-7-17-6-5-15-3-2-4-16-9-10-19(18)21(17)20(15)16;/h2-10,14,22-23H,11-13H2,1H3;1H