1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C16H19ClFN3+2 MolecularWeight: 307.793563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H17ClFN3/c17-15-11-14(18)5-4-13(15)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2/p+2