N-butyl-7-ethyl-4-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine hydrofluoride

Systemtic Name: N-butyl-7-ethyl-4-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine hydrofluoride Openeye Name: N-butyl-7-ethyl-4-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine hydrofluoride CAS Name: N-butyl-7-ethyl-4-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine hydrofluoride IUPAC Name: N-butyl-7-ethyl-4-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine hydrofluoride Traditional Name: butyl-(7-ethyl-4-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-yl)amine hydrofluoride Formula: C13H22FN2+ MolecularWeight: 225.325583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN[N+]1(C2=C1C=C(C=C2)C)CC.F

Isomeric SMILES

CCCCN[N+]1(C2=C1C=C(C=C2)C)CC.F

InChI

InChI=1S/C13H21N2.FH/c1-4-6-9-14-15(5-2)12-8-7-11(3)10-13(12)15;/h7-8,10,14H,4-6,9H2,1-3H3;1H/q+1;