3-carboxy-5-cyano-4-methyl-N-thiophen-2-yl-benzonitrilium

Systemtic Name: 3-carboxy-5-cyano-4-methyl-N-thiophen-2-yl-benzonitrilium Openeye Name: 3-carboxy-5-cyano-4-methyl-N-(2-thienyl)benzonitrilium CAS Name: 3-carboxy-5-cyano-4-methyl-N-thiophen-2-ylbenzonitrilium IUPAC Name: 3-carboxy-5-cyano-4-methyl-N-thiophen-2-ylbenzonitrilium Traditional Name: 3-carboxy-5-cyano-4-methyl-N-(2-thienyl)benzonitrilium Formula: C14H9N2O2S+ MolecularWeight: 269.29846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C#N)C#[N+]C2=CC=CS2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1C#N)C#[N+]C2=CC=CS2)C(=O)O

InChI

InChI=1S/C14H8N2O2S/c1-9-11(7-15)5-10(6-12(9)14(17)18)8-16-13-3-2-4-19-13/h2-6H,1H3/p+1