1-(2-fluorophenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-(1-pyrenylmethyl)piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-(pyren-1-ylmethyl)piperazin-4-ium Formula: C27H24FN2+ MolecularWeight: 395.491263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=CC=C6F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=CC=C6F

InChI

InChI=1S/C27H23FN2/c28-24-6-1-2-7-25(24)30-16-14-29(15-17-30)18-22-11-10-21-9-8-19-4-3-5-20-12-13-23(22)27(21)26(19)20/h1-13H,14-18H2/p+1