3-(4-ethylsulfanyl-1-prop-2-enyl-pyridin-1-ium-2-yl)-1-azabicyclo[4.2.0]oct-2-ene

Systemtic Name: 3-(4-ethylsulfanyl-1-prop-2-enyl-pyridin-1-ium-2-yl)-1-azabicyclo[4.2.0]oct-2-ene Openeye Name: 3-(1-allyl-4-ethylsulfanyl-pyridin-1-ium-2-yl)-1-azabicyclo[4.2.0]oct-2-ene CAS Name: 3-[4-(ethylthio)-1-prop-2-enyl-2-pyridin-1-iumyl]-1-azabicyclo[4.2.0]oct-2-ene IUPAC Name: 3-(4-ethylsulfanyl-1-prop-2-enylpyridin-1-ium-2-yl)-1-azabicyclo[4.2.0]oct-2-ene Traditional Name: 3-[1-allyl-4-(ethylthio)pyridin-1-ium-2-yl]-1-azabicyclo[4.2.0]oct-2-ene Formula: C17H23N2S+ MolecularWeight: 287.44292

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=[N+](C=C1)CC=C)C2=CN3CCC3CC2

Isomeric SMILES

CCSC1=CC(=[N+](C=C1)CC=C)C2=CN3CCC3CC2

InChI

InChI=1S/C17H23N2S/c1-3-9-18-11-8-16(20-4-2)12-17(18)14-5-6-15-7-10-19(15)13-14/h3,8,11-13,15H,1,4-7,9-10H2,2H3/q+1