2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-[(E)-2-ethoxyprop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium iodide Formula: C14H18INOS MolecularWeight: 375.26829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NOS.HI/c1-4-15-12-8-6-7-9-13(12)17-14(15)10-11(3)16-5-2;/h6-10H,4-5H2,1-3H3;1H/q+1;/p-1/b11-10+;