2-[(Z)-2-ethoxyprop-1-enyl]-1-ethyl-benzo[e][1,3]benzothiazol-1-ium iodide

Systemtic Name: 2-[(Z)-2-ethoxyprop-1-enyl]-1-ethyl-benzo[e][1,3]benzothiazol-1-ium iodide Openeye Name: 2-[(Z)-2-ethoxyprop-1-enyl]-1-ethyl-benzo[e][1,3]benzothiazol-1-ium iodide CAS Name: 2-[(Z)-2-ethoxyprop-1-enyl]-1-ethylbenzo[e][1,3]benzothiazol-1-ium iodide IUPAC Name: 2-[(Z)-2-ethoxyprop-1-enyl]-1-ethylbenzo[e][1,3]benzothiazol-1-ium iodide Traditional Name: 2-[(Z)-2-ethoxyprop-1-enyl]-1-ethyl-benzo[e][1,3]benzothiazol-1-ium iodide Formula: C18H20INOS MolecularWeight: 425.32697

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C=C(C)OCC.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)/C=C(/C)\OCC.[I-]

InChI

InChI=1S/C18H20NOS.HI/c1-4-19-17(12-13(3)20-5-2)21-16-11-10-14-8-6-7-9-15(14)18(16)19;/h6-12H,4-5H2,1-3H3;1H/q+1;/p-1/b13-12-;