methyl (6S)-8-methyl-2-oxidanylidene-8-phenyl-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate

Systemtic Name: methyl (6S)-8-methyl-2-oxidanylidene-8-phenyl-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate Openeye Name: methyl (6S)-8-methyl-2-oxo-8-phenyl-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate CAS Name: (6S)-8-methyl-2-oxo-8-phenyl-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylic acid methyl ester IUPAC Name: methyl (6S)-8-methyl-2-oxo-8-phenyl-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate Traditional Name: (6S)-2-keto-8-methyl-8-phenyl-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylic acid methyl ester Formula: C16H18NO3+ MolecularWeight: 272.31902

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CC(C1C=CC2=O)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

C[N+]1(C2C[C@@H](C1C=CC2=O)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C16H18NO3/c1-17(11-6-4-3-5-7-11)13-8-9-15(18)14(17)10-12(13)16(19)20-2/h3-9,12-14H,10H2,1-2H3/q+1/t12-,13?,14?,17?/m0/s1