(1R,5S,7S)-8-methyl-5-methylsulfanyl-4-oxidanylidene-8-azoniabicyclo[3.2.1]oct-2-ene-7-carbonitrile

Systemtic Name: (1R,5S,7S)-8-methyl-5-methylsulfanyl-4-oxidanylidene-8-azoniabicyclo[3.2.1]oct-2-ene-7-carbonitrile Openeye Name: (1R,5S,7S)-8-methyl-5-methylsulfanyl-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carbonitrile CAS Name: (1R,5S,7S)-8-methyl-5-(methylthio)-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carbonitrile IUPAC Name: (1R,5S,7S)-8-methyl-5-methylsulfanyl-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carbonitrile Traditional Name: (1R,5S,7S)-4-keto-8-methyl-5-(methylthio)-8-azoniabicyclo[3.2.1]oct-2-ene-7-carbonitrile Formula: C10H13N2OS+ MolecularWeight: 209.28802

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2C=CC(=O)C1(CC2C#N)SC

Isomeric SMILES

C[NH+]1[C@@H]2C=CC(=O)[C@]1(C[C@@H]2C#N)SC

InChI

InChI=1S/C10H12N2OS/c1-12-8-3-4-9(13)10(12,14-2)5-7(8)6-11/h3-4,7-8H,5H2,1-2H3/p+1/t7-,8-,10+/m1/s1