(4-fluorophenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-(4-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-fluorophenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C17H20FN3O+2 MolecularWeight: 301.358603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H18FN3O/c18-16-3-1-15(2-4-16)17(22)21-11-9-20(10-12-21)13-14-5-7-19-8-6-14/h1-8H,9-13H2/p+2