2-[2-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-pyrrolidin-1-ium-1-yl]ethanethial

Systemtic Name: 2-[2-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-pyrrolidin-1-ium-1-yl]ethanethial Openeye Name: 2-[2-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-pyrrolidin-1-ium-1-yl]ethanethial CAS Name: 2-[2-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-1-pyrrolidin-1-iumyl]ethanethial IUPAC Name: 2-[2-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methylpyrrolidin-1-ium-1-yl]ethanethial Traditional Name: 2-[2-(1-azabicyclo[4.2.0]oct-2-en-3-yl)-1-methyl-pyrrolidin-1-ium-1-yl]thioacetaldehyde Formula: C14H23N2S+ MolecularWeight: 251.41082

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C2=CN3CCC3CC2)CC=S

Isomeric SMILES

C[N+]1(CCCC1C2=CN3CCC3CC2)CC=S

InChI

InChI=1S/C14H23N2S/c1-16(9-10-17)8-2-3-14(16)12-4-5-13-6-7-15(13)11-12/h10-11,13-14H,2-9H2,1H3/q+1