3-(4-methyl-6-prop-2-enyl-1-sulfanylidene-2H-pyridin-1-ium-5-yl)-1-azabicyclo[4.2.0]oct-2-ene

Systemtic Name: 3-(4-methyl-6-prop-2-enyl-1-sulfanylidene-2H-pyridin-1-ium-5-yl)-1-azabicyclo[4.2.0]oct-2-ene Openeye Name: 3-(6-allyl-4-methyl-1-thioxo-2H-pyridin-1-ium-5-yl)-1-azabicyclo[4.2.0]oct-2-ene CAS Name: 3-(4-methyl-6-prop-2-enyl-1-sulfanylidene-2H-pyridin-1-ium-5-yl)-1-azabicyclo[4.2.0]oct-2-ene IUPAC Name: 3-(4-methyl-6-prop-2-enyl-1-sulfanylidene-2H-pyridin-1-ium-5-yl)-1-azabicyclo[4.2.0]oct-2-ene Traditional Name: 3-(6-allyl-4-methyl-1-thioxo-2H-pyridin-1-ium-5-yl)-1-azabicyclo[4.2.0]oct-2-ene Formula: C16H21N2S+ MolecularWeight: 273.41634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[N+](=S)C(=C1C2=CN3CCC3CC2)CC=C

Isomeric SMILES

CC1=CC[N+](=S)C(=C1C2=CN3CCC3CC2)CC=C

InChI

InChI=1S/C16H21N2S/c1-3-4-15-16(12(2)7-10-18(15)19)13-5-6-14-8-9-17(14)11-13/h3,7,11,14H,1,4-6,8-10H2,2H3/q+1