3-(4-cyclopropyl-1-methyl-pyridin-1-ium-2-yl)-1-azabicyclo[4.2.0]oct-2-ene

Systemtic Name: 3-(4-cyclopropyl-1-methyl-pyridin-1-ium-2-yl)-1-azabicyclo[4.2.0]oct-2-ene Openeye Name: 3-(4-cyclopropyl-1-methyl-pyridin-1-ium-2-yl)-1-azabicyclo[4.2.0]oct-2-ene CAS Name: 3-(4-cyclopropyl-1-methyl-2-pyridin-1-iumyl)-1-azabicyclo[4.2.0]oct-2-ene IUPAC Name: 3-(4-cyclopropyl-1-methylpyridin-1-ium-2-yl)-1-azabicyclo[4.2.0]oct-2-ene Traditional Name: 3-(4-cyclopropyl-1-methyl-pyridin-1-ium-2-yl)-1-azabicyclo[4.2.0]oct-2-ene Formula: C16H21N2+ MolecularWeight: 241.35134

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C=C1)C2CC2)C3=CN4CCC4CC3

Isomeric SMILES

C[N+]1=C(C=C(C=C1)C2CC2)C3=CN4CCC4CC3

InChI

InChI=1S/C16H21N2/c1-17-8-6-13(12-2-3-12)10-16(17)14-4-5-15-7-9-18(15)11-14/h6,8,10-12,15H,2-5,7,9H2,1H3/q+1