8-[4,4-bis(fluoranyl)piperidin-1-yl]-5-chloranyl-6-(2-chloranyl-6-fluoranyl-phenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium

Systemtic Name: 8-[4,4-bis(fluoranyl)piperidin-1-yl]-5-chloranyl-6-(2-chloranyl-6-fluoranyl-phenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Openeye Name: 5-chloro-6-(2-chloro-6-fluoro-phenyl)-8-(4,4-difluoro-1-piperidyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium CAS Name: 5-chloro-6-(2-chloro-6-fluorophenyl)-8-(4,4-difluoro-1-piperidinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium IUPAC Name: 5-chloro-6-(2-chloro-6-fluorophenyl)-8-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Traditional Name: 5-chloro-6-(2-chloro-6-fluoro-phenyl)-8-(4,4-difluoropiperidino)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Formula: C16H13Cl2F3N5+ MolecularWeight: 403.20913

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(F)F)[N+]23C=C(C(=NC2=NC=N3)Cl)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CCC1(F)F)[N+]23C=C(C(=NC2=NC=N3)Cl)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C16H13Cl2F3N5/c17-11-2-1-3-12(19)13(11)10-8-26(15(22-9-23-26)24-14(10)18)25-6-4-16(20,21)5-7-25/h1-3,8-9H,4-7H2/q+1