4-ethyl-7-methyl-7-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-triene

Systemtic Name: 4-ethyl-7-methyl-7-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-triene Openeye Name: 4-ethyl-7-isopentyl-7-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-triene CAS Name: 4-ethyl-7-methyl-7-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-triene IUPAC Name: 4-ethyl-7-methyl-7-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-triene Traditional Name: 4-ethyl-7-isoamyl-7-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-triene Formula: C14H22N+ MolecularWeight: 204.33118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([N+]2(C)CCC(C)C)C=C1

Isomeric SMILES

CCC1=CC2=C([N+]2(C)CCC(C)C)C=C1

InChI

InChI=1S/C14H22N/c1-5-12-6-7-13-14(10-12)15(13,4)9-8-11(2)3/h6-7,10-11H,5,8-9H2,1-4H3/q+1