3-[2-(1-methylpyridin-1-ium-2-yl)-1,3-thiazol-4-yl]-1H-indole-5-carbonitrile iodide

Systemtic Name: 3-[2-(1-methylpyridin-1-ium-2-yl)-1,3-thiazol-4-yl]-1H-indole-5-carbonitrile iodide Openeye Name: 3-[2-(1-methylpyridin-1-ium-2-yl)thiazol-4-yl]-1H-indole-5-carbonitrile iodide CAS Name: 3-[2-(1-methyl-2-pyridin-1-iumyl)-4-thiazolyl]-1H-indole-5-carbonitrile iodide IUPAC Name: 3-[2-(1-methylpyridin-1-ium-2-yl)-1,3-thiazol-4-yl]-1H-indole-5-carbonitrile iodide Traditional Name: 3-[2-(1-methylpyridin-1-ium-2-yl)thiazol-4-yl]-1H-indole-5-carbonitrile iodide Formula: C18H13IN4S MolecularWeight: 444.29209

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2=NC(=CS2)C3=CNC4=C3C=C(C=C4)C#N.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1C2=NC(=CS2)C3=CNC4=C3C=C(C=C4)C#N.[I-]

InChI

InChI=1S/C18H13N4S.HI/c1-22-7-3-2-4-17(22)18-21-16(11-23-18)14-10-20-15-6-5-12(9-19)8-13(14)15;/h2-8,10-11,20H,1H3;1H/q+1;/p-1