4-(2-fluoranylethyl)-1-heptyl-1,2,4-triazol-4-ium bromide

Systemtic Name: 4-(2-fluoranylethyl)-1-heptyl-1,2,4-triazol-4-ium bromide Openeye Name: 4-(2-fluoroethyl)-1-heptyl-1,2,4-triazol-4-ium bromide CAS Name: 4-(2-fluoroethyl)-1-heptyl-1,2,4-triazol-4-ium bromide IUPAC Name: 4-(2-fluoroethyl)-1-heptyl-1,2,4-triazol-4-ium bromide Traditional Name: 4-(2-fluoroethyl)-1-heptyl-1,2,4-triazol-4-ium bromide Formula: C11H21BrFN3 MolecularWeight: 294.206943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=[N+](C=N1)CCF.[Br-]

Isomeric SMILES

CCCCCCCN1C=[N+](C=N1)CCF.[Br-]

InChI

InChI=1S/C11H21FN3.BrH/c1-2-3-4-5-6-8-15-11-14(9-7-12)10-13-15;/h10-11H,2-9H2,1H3;1H/q+1;/p-1