3-ethyl-5-[(4-oxidanylidene-3-phenyl-1,3-thiazol-3-ium-2-yl)amino]imidazole-4-carboxylic acid

Systemtic Name: 3-ethyl-5-[(4-oxidanylidene-3-phenyl-1,3-thiazol-3-ium-2-yl)amino]imidazole-4-carboxylic acid Openeye Name: 3-ethyl-5-[(4-oxo-3-phenyl-thiazol-3-ium-2-yl)amino]imidazole-4-carboxylic acid CAS Name: 3-ethyl-5-[(4-oxo-3-phenyl-2-thiazol-3-iumyl)amino]-4-imidazolecarboxylic acid IUPAC Name: 3-ethyl-5-[(4-oxo-3-phenyl-1,3-thiazol-3-ium-2-yl)amino]imidazole-4-carboxylic acid Traditional Name: 3-ethyl-5-[(4-keto-3-phenyl-2-thiazolin-3-ium-2-yl)amino]imidazole-4-carboxylic acid Formula: C15H15N4O3S+ MolecularWeight: 331.3696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC(=C1C(=O)O)NC2=[N+](C(=O)CS2)C3=CC=CC=C3

Isomeric SMILES

CCN1C=NC(=C1C(=O)O)NC2=[N+](C(=O)CS2)C3=CC=CC=C3

InChI

InChI=1S/C15H14N4O3S/c1-2-18-9-16-13(12(18)14(21)22)17-15-19(11(20)8-23-15)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,21,22)/p+1