[(E)-prop-1-enyl] 3-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-pyridin-1-ium-2-carboxylate

Systemtic Name: [(E)-prop-1-enyl] 3-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-pyridin-1-ium-2-carboxylate Openeye Name: [(E)-prop-1-enyl] 3-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-pyridin-1-ium-2-carboxylate CAS Name: 3-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-2-pyridin-1-iumcarboxylic acid [(E)-prop-1-enyl] ester IUPAC Name: [(E)-prop-1-enyl] 3-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methylpyridin-1-ium-2-carboxylate Traditional Name: 3-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-pyridin-1-ium-2-carboxylic acid [(E)-prop-1-enyl] ester Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC=COC(=O)C1=C(C=CC=[N+]1C)C2=CN3CCC3CC2

Isomeric SMILES

C/C=C/OC(=O)C1=C(C=CC=[N+]1C)C2=CN3CCC3CC2

InChI

InChI=1S/C17H21N2O2/c1-3-11-21-17(20)16-15(5-4-9-18(16)2)13-6-7-14-8-10-19(14)12-13/h3-5,9,11-12,14H,6-8,10H2,1-2H3/q+1/b11-3+