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

Systemtic Name: methyl (1S,5R,7S)-8,8-dimethyl-5-methylsulfanyl-4-oxidanylidene-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylate Openeye Name: methyl (1S,5R,7S)-8,8-dimethyl-5-methylsulfanyl-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylate CAS Name: (1S,5R,7S)-8,8-dimethyl-5-(methylthio)-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R,7S)-8,8-dimethyl-5-methylsulfanyl-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylate Traditional Name: (1S,5R,7S)-4-keto-8,8-dimethyl-5-(methylthio)-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylic acid methyl ester Formula: C12H18NO3S+ MolecularWeight: 256.34122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18NO3S/c1-13(2)9-5-6-10(14)12(13,17-4)7-8(9)11(15)16-3/h5-6,8-9H,7H2,1-4H3/q+1/t8-,9-,12+/m0/s1