4,7-dimethyl-N-pentyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine

Systemtic Name: 4,7-dimethyl-N-pentyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine Openeye Name: 4,7-dimethyl-N-pentyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine CAS Name: 4,7-dimethyl-N-pentyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine IUPAC Name: 4,7-dimethyl-N-pentyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine Traditional Name: amyl-(4,7-dimethyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-yl)amine Formula: C13H21N2+ MolecularWeight: 205.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN[N+]1(C2=C1C=C(C=C2)C)C

Isomeric SMILES

CCCCCN[N+]1(C2=C1C=C(C=C2)C)C

InChI

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