N-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium-6-yl]ethanamide iodide

Systemtic Name: N-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium-6-yl]ethanamide iodide Openeye Name: N-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-3-ethyl-1,3-benzothiazol-3-ium-6-yl]acetamide iodide CAS Name: N-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium-6-yl]acetamide iodide IUPAC Name: N-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium-6-yl]acetamide iodide Traditional Name: N-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-3-ethyl-1,3-benzothiazol-3-ium-6-yl]acetamide iodide Formula: C21H24IN3OS MolecularWeight: 493.40423

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)NC(=O)C)C=CC3=CC=C(C=C3)N(C)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS.HI/c1-5-24-19-12-9-17(22-15(2)25)14-20(19)26-21(24)13-8-16-6-10-18(11-7-16)23(3)4;/h6-14H,5H2,1-4H3;1H