(E)-[(1S,2S)-1,2-dimethyl-3-oxidanylidene-1,2-dihydroquinolizin-5-ium-4-ylidene]-methoxy-methanolate

Systemtic Name: (E)-[(1S,2S)-1,2-dimethyl-3-oxidanylidene-1,2-dihydroquinolizin-5-ium-4-ylidene]-methoxy-methanolate Openeye Name: (E)-[(1S,2S)-1,2-dimethyl-3-oxo-1,2-dihydroquinolizin-5-ium-4-ylidene]-methoxy-methanolate CAS Name: (E)-[(1S,2S)-1,2-dimethyl-3-oxo-1,2-dihydroquinolizin-5-ium-4-ylidene]-methoxymethanolate IUPAC Name: (E)-[(1S,2S)-1,2-dimethyl-3-oxo-1,2-dihydroquinolizin-5-ium-4-ylidene]-methoxymethanolate Traditional Name: (E)-[(1S,2S)-3-keto-1,2-dimethyl-1,2-dihydroquinolizin-5-ium-4-ylidene]-methoxy-methanolate Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C(=C([O-])OC)[N+]2=CC=CC=C12)C

Isomeric SMILES

C[C@H]1[C@@H](C(=O)/C(=C(/[O-])\OC)/[N+]2=CC=CC=C12)C

InChI

InChI=1S/C13H15NO3/c1-8-9(2)12(15)11(13(16)17-3)14-7-5-4-6-10(8)14/h4-9H,1-3H3/t8-,9-/m0/s1