bis(2-hydroxyethyl)-(pyren-1-ylmethyl)azanium

Systemtic Name: bis(2-hydroxyethyl)-(pyren-1-ylmethyl)azanium Openeye Name: bis(2-hydroxyethyl)-(pyren-1-ylmethyl)ammonium CAS Name: bis(2-hydroxyethyl)-(1-pyrenylmethyl)ammonium IUPAC Name: bis(2-hydroxyethyl)-(pyren-1-ylmethyl)azanium Traditional Name: bis(2-hydroxyethyl)-(pyren-1-ylmethyl)ammonium Formula: C21H22NO2+ MolecularWeight: 320.40488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C[NH+](CCO)CCO

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C[NH+](CCO)CCO

InChI

InChI=1S/C21H21NO2/c23-12-10-22(11-13-24)14-18-7-6-17-5-4-15-2-1-3-16-8-9-19(18)21(17)20(15)16/h1-9,23-24H,10-14H2/p+1