(4-fluorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-fluorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C17H19FN3O+ MolecularWeight: 300.350663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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