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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN[N+]1(C2=C1C=C(C=C2)CC(C)C)C

Isomeric SMILES

CCN[N+]1(C2=C1C=C(C=C2)CC(C)C)C

InChI

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