2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazol-3-yl]ethanol iodide

Systemtic Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazol-3-yl]ethanol iodide Openeye Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-5-methyl-1,3-benzothiazol-3-yl]ethanol iodide CAS Name: 2-[(2Z)-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-5-methyl-1,3-benzothiazol-3-yl]ethanol iodide IUPAC Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazol-3-yl]ethanol iodide Traditional Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-5-methyl-1,3-benzothiazol-3-yl]ethanol iodide Formula: C22H23IN2OS MolecularWeight: 490.40029

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=C(S3)C=CC(=C4)C)CCO.[I-]

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)/C=C\3/N(C4=C(S3)C=CC(=C4)C)CCO.[I-]

InChI

InChI=1S/C22H23N2OS.HI/c1-3-23-18(10-9-17-6-4-5-7-19(17)23)15-22-24(12-13-25)20-14-16(2)8-11-21(20)26-22;/h4-11,14-15,25H,3,12-13H2,1-2H3;1H/q+1;/p-1