1-[(2-fluorophenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(2-fluorophenyl)methyl]-4-(2-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(2-fluorobenzyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Formula: C17H23FN3+3 MolecularWeight: 288.383023

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2F)CC3=CC=CC=[NH+]3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2F)CC3=CC=CC=[NH+]3

InChI

InChI=1S/C17H20FN3/c18-17-7-2-1-5-15(17)13-20-9-11-21(12-10-20)14-16-6-3-4-8-19-16/h1-8H,9-14H2/p+3