1-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butan-1-one Formula: C19H24FN3O+2 MolecularWeight: 329.411763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2/p+2