N-[(2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]ethanamide iodide

Systemtic Name: N-[(2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]ethanamide iodide Openeye Name: N-[(2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-6-yl]acetamide iodide CAS Name: N-[(2Z)-3-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-6-yl]acetamide iodide IUPAC Name: N-[(2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-6-yl]acetamide iodide Traditional Name: N-[(2Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-6-yl]acetamide iodide Formula: C23H24IN3OS MolecularWeight: 517.42563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C)SC1=CC3=[N+](C4=CC=CC=C4C=C3)CC.[I-]

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)NC(=O)C)S/C1=C\C3=[N+](C4=CC=CC=C4C=C3)CC.[I-]

InChI

InChI=1S/C23H23N3OS.HI/c1-4-25-19(12-10-17-8-6-7-9-20(17)25)15-23-26(5-2)21-13-11-18(24-16(3)27)14-22(21)28-23;/h6-15H,4-5H2,1-3H3;1H