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

Systemtic Name: N-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazol-6-yl]ethanamide iodide Openeye Name: N-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazol-6-yl]acetamide iodide CAS Name: N-[(2Z)-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazol-6-yl]acetamide iodide IUPAC Name: N-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazol-6-yl]acetamide iodide Traditional Name: N-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazol-6-yl]acetamide iodide Formula: C22H22IN3OS MolecularWeight: 503.39905

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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=C(C=C4)NC(=O)C)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS.HI/c1-4-25-18(11-9-16-7-5-6-8-19(16)25)14-22-24(3)20-12-10-17(23-15(2)26)13-21(20)27-22;/h5-14H,4H2,1-3H3;1H