(2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide

Systemtic Name: (2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide Openeye Name: (2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide CAS Name: (2E)-3-methyl-2-[(E)-3-(1-methyl-2-quinolin-1-iumyl)prop-2-enylidene]-1,3-benzothiazole iodide IUPAC Name: (2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide Traditional Name: (2E)-3-methyl-2-[(E)-3-(1-methylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide Formula: C21H19IN2S MolecularWeight: 458.35843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4C=C3)C.[I-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C/C=C/C3=[N+](C4=CC=CC=C4C=C3)C.[I-]

InChI

InChI=1S/C21H19N2S.HI/c1-22-17(15-14-16-8-3-4-10-18(16)22)9-7-13-21-23(2)19-11-5-6-12-20(19)24-21;/h3-15H,1-2H3;1H/q+1;/p-1