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

Systemtic Name: (1R,5S,7S)-8-methyl-4-oxidanylidene-5-prop-2-enylsulfanyl-8-azoniabicyclo[3.2.1]oct-2-ene-7-carbonitrile Openeye Name: (1R,5S,7S)-5-allylsulfanyl-8-methyl-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carbonitrile CAS Name: (1R,5S,7S)-8-methyl-4-oxo-5-(prop-2-enylthio)-8-azoniabicyclo[3.2.1]oct-2-ene-7-carbonitrile IUPAC Name: (1R,5S,7S)-8-methyl-4-oxo-5-prop-2-enylsulfanyl-8-azoniabicyclo[3.2.1]oct-2-ene-7-carbonitrile Traditional Name: (1R,5S,7S)-5-(allylthio)-4-keto-8-methyl-8-azoniabicyclo[3.2.1]oct-2-ene-7-carbonitrile Formula: C12H15N2OS+ MolecularWeight: 235.3253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2OS/c1-3-6-16-12-7-9(8-13)10(14(12)2)4-5-11(12)15/h3-5,9-10H,1,6-7H2,2H3/p+1/t9-,10-,12+/m1/s1