1-[4-(chloromethyl)-2-fluoranyl-phenyl]-4-pyridin-1-ium-2-yl-piperazine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)CCl)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)CCl)F)C3=CC=CC=[NH+]3

InChI

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