4-[(Z)-2-fluoranyl-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline iodide

Systemtic Name: 4-[(Z)-2-fluoranyl-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline iodide Openeye Name: 4-[(Z)-2-fluoro-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N,N-dimethyl-aniline iodide CAS Name: 4-[(Z)-2-fluoro-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide IUPAC Name: 4-[(Z)-2-fluoro-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide Traditional Name: [4-[(Z)-2-fluoro-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]-dimethyl-amine iodide Formula: C18H18FIN2S MolecularWeight: 440.316793

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C(=CC3=CC=C(C=C3)N(C)C)F.[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C(=C/C3=CC=C(C=C3)N(C)C)/F.[I-]

InChI

InChI=1S/C18H18FN2S.HI/c1-20(2)14-10-8-13(9-11-14)12-15(19)18-21(3)16-6-4-5-7-17(16)22-18;/h4-12H,1-3H3;1H/q+1;/p-1