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

Systemtic Name: 5-chloranyl-6-(2-chloranyl-6-fluoranyl-phenyl)-8-[4-(fluoranylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Openeye Name: 5-chloro-6-(2-chloro-6-fluoro-phenyl)-8-[4-(fluoromethyl)-1-piperidyl]-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium CAS Name: 5-chloro-6-(2-chloro-6-fluorophenyl)-8-[4-(fluoromethyl)-1-piperidinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium IUPAC Name: 5-chloro-6-(2-chloro-6-fluorophenyl)-8-[4-(fluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Traditional Name: 5-chloro-6-(2-chloro-6-fluoro-phenyl)-8-[4-(fluoromethyl)piperidino]-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Formula: C17H16Cl2F2N5+ MolecularWeight: 399.245246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CF)[N+]23C=C(C(=NC2=NC=N3)Cl)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CCC1CF)[N+]23C=C(C(=NC2=NC=N3)Cl)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C17H16Cl2F2N5/c18-13-2-1-3-14(21)15(13)12-9-26(17(22-10-23-26)24-16(12)19)25-6-4-11(8-20)5-7-25/h1-3,9-11H,4-8H2/q+1