ethenyl 2-(2-propyl-1,3-benzothiazol-3-ium-3-yl)ethanoate iodide

Systemtic Name: ethenyl 2-(2-propyl-1,3-benzothiazol-3-ium-3-yl)ethanoate iodide Openeye Name: vinyl 2-(2-propyl-1,3-benzothiazol-3-ium-3-yl)acetate iodide CAS Name: 2-(2-propyl-1,3-benzothiazol-3-ium-3-yl)acetic acid ethenyl ester iodide IUPAC Name: ethenyl 2-(2-propyl-1,3-benzothiazol-3-ium-3-yl)acetate iodide Traditional Name: 2-(2-propyl-1,3-benzothiazol-3-ium-3-yl)acetic acid vinyl ester iodide Formula: C14H16INO2S MolecularWeight: 389.25181

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2S1)CC(=O)OC=C.[I-]

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2S1)CC(=O)OC=C.[I-]

InChI

InChI=1S/C14H16NO2S.HI/c1-3-7-13-15(10-14(16)17-4-2)11-8-5-6-9-12(11)18-13;/h4-6,8-9H,2-3,7,10H2,1H3;1H/q+1;/p-1