3-methyl-2-(4-piperidin-1-ium-1-ylidenebut-2-enylidene)-1,3-benzothiazole iodide

Systemtic Name: 3-methyl-2-(4-piperidin-1-ium-1-ylidenebut-2-enylidene)-1,3-benzothiazole iodide Openeye Name: 3-methyl-2-(4-piperidin-1-ium-1-ylidenebut-2-enylidene)-1,3-benzothiazole iodide CAS Name: 3-methyl-2-[4-(1-piperidin-1-iumylidene)but-2-enylidene]-1,3-benzothiazole iodide IUPAC Name: 3-methyl-2-(4-piperidin-1-ium-1-ylidenebut-2-enylidene)-1,3-benzothiazole iodide Traditional Name: 3-methyl-2-(4-piperidin-1-ium-1-ylidenebut-2-enylidene)-1,3-benzothiazole iodide Formula: C17H21IN2S MolecularWeight: 412.33151

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC=CC=[N+]3CCCCC3.[I-]

Isomeric SMILES

CN1C2=CC=CC=C2SC1=CC=CC=[N+]3CCCCC3.[I-]

InChI

InChI=1S/C17H21N2S.HI/c1-18-15-9-3-4-10-16(15)20-17(18)11-5-8-14-19-12-6-2-7-13-19;/h3-5,8-11,14H,2,6-7,12-13H2,1H3;1H/q+1;/p-1