1-methyl-3-oxaldehydoyl-1H-indol-1-ium-6-carbonitrile chloride

Systemtic Name: 1-methyl-3-oxaldehydoyl-1H-indol-1-ium-6-carbonitrile chloride Openeye Name: 1-methyl-3-oxaldehydoyl-1H-indol-1-ium-6-carbonitrile chloride CAS Name: 1-methyl-3-oxaldehydoyl-1H-indol-1-ium-6-carbonitrile chloride IUPAC Name: 1-methyl-3-oxaldehydoyl-1H-indol-1-ium-6-carbonitrile chloride Traditional Name: 3-glyoxyloyl-1-methyl-1H-indol-1-ium-6-carbonitrile chloride Formula: C12H9ClN2O2 MolecularWeight: 248.66506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C=C(C2=C1C=C(C=C2)C#N)C(=O)C=O.[Cl-]

Isomeric SMILES

C[NH+]1C=C(C2=C1C=C(C=C2)C#N)C(=O)C=O.[Cl-]

InChI

InChI=1S/C12H8N2O2.ClH/c1-14-6-10(12(16)7-15)9-3-2-8(5-13)4-11(9)14;/h2-4,6-7H,1H3;1H