5-chloranyl-6-(2-chloranyl-6-fluoranyl-phenyl)-8-(3-fluoranylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium

Systemtic Name: 5-chloranyl-6-(2-chloranyl-6-fluoranyl-phenyl)-8-(3-fluoranylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Openeye Name: 5-chloro-6-(2-chloro-6-fluoro-phenyl)-8-(3-fluoro-1-piperidyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium CAS Name: 5-chloro-6-(2-chloro-6-fluorophenyl)-8-(3-fluoro-1-piperidinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium IUPAC Name: 5-chloro-6-(2-chloro-6-fluorophenyl)-8-(3-fluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Traditional Name: 5-chloro-6-(2-chloro-6-fluoro-phenyl)-8-(3-fluoropiperidino)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Formula: C16H14Cl2F2N5+ MolecularWeight: 385.218666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)[N+]23C=C(C(=NC2=NC=N3)Cl)C4=C(C=CC=C4Cl)F)F

Isomeric SMILES

C1CC(CN(C1)[N+]23C=C(C(=NC2=NC=N3)Cl)C4=C(C=CC=C4Cl)F)F

InChI

InChI=1S/C16H14Cl2F2N5/c17-12-4-1-5-13(20)14(12)11-8-25(24-6-2-3-10(19)7-24)16(21-9-22-25)23-15(11)18/h1,4-5,8-10H,2-3,6-7H2/q+1