4-isoquinolin-2-ium-2-yl-2-oxidanylidene-3H-1,3-thiazole-5-carbaldehyde

Systemtic Name: 4-isoquinolin-2-ium-2-yl-2-oxidanylidene-3H-1,3-thiazole-5-carbaldehyde Openeye Name: 4-isoquinolin-2-ium-2-yl-2-oxo-3H-thiazole-5-carbaldehyde CAS Name: 4-(2-isoquinolin-2-iumyl)-2-oxo-3H-thiazole-5-carboxaldehyde IUPAC Name: 4-isoquinolin-2-ium-2-yl-2-oxo-3H-1,3-thiazole-5-carbaldehyde Traditional Name: 4-isoquinolin-2-ium-2-yl-2-keto-4-thiazoline-5-carbaldehyde Formula: C13H9N2O2S+ MolecularWeight: 257.28776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)C3=C(SC(=O)N3)C=O

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)C3=C(SC(=O)N3)C=O

InChI

InChI=1S/C13H8N2O2S/c16-8-11-12(14-13(17)18-11)15-6-5-9-3-1-2-4-10(9)7-15/h1-8H/p+1