3-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-pyridin-1-ium-2-carbothialdehyde

Systemtic Name: 3-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-pyridin-1-ium-2-carbothialdehyde Openeye Name: 3-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-pyridin-1-ium-2-carbothialdehyde CAS Name: 3-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-2-pyridin-1-iumcarbothioaldehyde IUPAC Name: 3-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methylpyridin-1-ium-2-carbothialdehyde Traditional Name: 3-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-pyridin-1-ium-2-carbothialdehyde Formula: C14H17N2S+ MolecularWeight: 245.36318

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1C=S)C2=CN3CCC3CC2

Isomeric SMILES

C[N+]1=CC=CC(=C1C=S)C2=CN3CCC3CC2

InChI

InChI=1S/C14H17N2S/c1-15-7-2-3-13(14(15)10-17)11-4-5-12-6-8-16(12)9-11/h2-3,7,9-10,12H,4-6,8H2,1H3/q+1