(Z)-(1-methyl-3-oxidanylidene-1,2-dihydroquinolizin-5-ium-4-ylidene)-(trideuteriomethoxy)methanolate

Systemtic Name: (Z)-(1-methyl-3-oxidanylidene-1,2-dihydroquinolizin-5-ium-4-ylidene)-(trideuteriomethoxy)methanolate Openeye Name: (Z)-(1-methyl-3-oxo-1,2-dihydroquinolizin-5-ium-4-ylidene)-(trideuteriomethoxy)methanolate CAS Name: (Z)-(1-methyl-3-oxo-1,2-dihydroquinolizin-5-ium-4-ylidene)-(trideuteriomethoxy)methanolate IUPAC Name: (Z)-(1-methyl-3-oxo-1,2-dihydroquinolizin-5-ium-4-ylidene)-(trideuteriomethoxy)methanolate Traditional Name: (Z)-(3-keto-1-methyl-1,2-dihydroquinolizin-5-ium-4-ylidene)-(trideuteriomethoxy)methanolate Formula: C12H13NO3 MolecularWeight: 222.255005

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(=C([O-])OC)[N+]2=CC=CC=C12

Isomeric SMILES

[2H]C([2H])([2H])O/C(=C\1/C(=O)CC(C2=CC=CC=[N+]21)C)/[O-]

InChI

InChI=1S/C12H13NO3/c1-8-7-10(14)11(12(15)16-2)13-6-4-3-5-9(8)13/h3-6,8H,7H2,1-2H3/i2D3