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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N2/c1-5-11-6-7-12-13(8-11)15(12,4)14-9-10(2)3/h6-8,10,14H,5,9H2,1-4H3/q+1