2-[4-(pyren-1-ylmethyl)piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-(pyren-1-ylmethyl)piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-(pyren-1-ylmethyl)piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-(1-pyrenylmethyl)-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-(pyren-1-ylmethyl)piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-(pyren-1-ylmethyl)piperazin-4-ium-1-yl]ethanol Formula: C23H25N2O+ MolecularWeight: 345.4574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)CCO

InChI

InChI=1S/C23H24N2O/c26-15-14-24-10-12-25(13-11-24)16-20-7-6-19-5-4-17-2-1-3-18-8-9-21(20)23(19)22(17)18/h1-9,26H,10-16H2/p+1