3-(pyren-1-ylmethylamino)propan-1-ol hydrochloride

Systemtic Name: 3-(pyren-1-ylmethylamino)propan-1-ol hydrochloride Openeye Name: 3-(pyren-1-ylmethylamino)propan-1-ol hydrochloride CAS Name: 3-(1-pyrenylmethylamino)-1-propanol hydrochloride IUPAC Name: 3-(pyren-1-ylmethylamino)propan-1-ol hydrochloride Traditional Name: 3-(pyren-1-ylmethylamino)propan-1-ol hydrochloride Formula: C20H20ClNO MolecularWeight: 325.8319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCO.Cl

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCO.Cl

InChI

InChI=1S/C20H19NO.ClH/c22-12-2-11-21-13-17-8-7-16-6-5-14-3-1-4-15-9-10-18(17)20(16)19(14)15;/h1,3-10,21-22H,2,11-13H2;1H