1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(2-chloro-6-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=CC=C2Cl)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C3=CC=CC=[NH+]3

InChI

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