3-methylfuran; 7-methyl-N-pentyl-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine

Systemtic Name: 3-methylfuran; 7-methyl-N-pentyl-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine Openeye Name: 3-methylfuran; 7-methyl-N-pentyl-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine CAS Name: 3-methylfuran; 7-methyl-N-pentyl-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine IUPAC Name: 3-methylfuran; 7-methyl-N-pentyl-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine Traditional Name: amyl-(7-methyl-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)amine; 3-methylfuran Formula: C17H25N2O+ MolecularWeight: 273.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN[N+]1(C2=CC=CC=C21)C.CC1=COC=C1

Isomeric SMILES

CCCCCN[N+]1(C2=CC=CC=C21)C.CC1=COC=C1

InChI

InChI=1S/C12H19N2.C5H6O/c1-3-4-7-10-13-14(2)11-8-5-6-9-12(11)14;1-5-2-3-6-4-5/h5-6,8-9,13H,3-4,7,10H2,1-2H3;2-4H,1H3/q+1;