N-[(E)-2-(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methyl-aniline iodide

Systemtic Name: N-[(E)-2-(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methyl-aniline iodide Openeye Name: N-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-methyl-aniline iodide CAS Name: N-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methylaniline iodide IUPAC Name: N-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-methylaniline iodide Traditional Name: [(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-methyl-phenyl-amine iodide Formula: C18H18ClIN2S MolecularWeight: 456.77139

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)Cl)C=CN(C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)Cl)/C=C/N(C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H18ClN2S.HI/c1-3-21-16-13-14(19)9-10-17(16)22-18(21)11-12-20(2)15-7-5-4-6-8-15;/h4-13H,3H2,1-2H3;1H/q+1;/p-1