4-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline iodide

Systemtic Name: 4-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethyl-aniline iodide Openeye Name: 4-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N,N-dimethyl-aniline iodide CAS Name: 4-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide IUPAC Name: 4-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N,N-dimethylaniline iodide Traditional Name: [4-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenyl]-dimethyl-amine iodide Formula: C19H21IN2S MolecularWeight: 436.35291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N2S.HI/c1-4-21-17-7-5-6-8-18(17)22-19(21)14-11-15-9-12-16(13-10-15)20(2)3;/h5-14H,4H2,1-3H3;1H/q+1;/p-1