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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C16H18ClFN3+ MolecularWeight: 306.785623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=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+1