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(7-octoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)azanium iodide

(7-octoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)azanium iodide

Systemtic Name:(7-octoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)azanium iodide
Openeye Name:(7-octoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)ammonium iodide
CAS Name:(7-octoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)ammonium iodide
IUPAC Name:(7-octoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)azanium iodide
Traditional Name:(7-octoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)ammonium iodide
Formula: C19H27IN2OS
MolecularWeight: 458.39995
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)[NH3+].[I-]


Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)[NH3+].[I-]


InChI

InChI=1S/C19H26N2OS.HI/c1-2-3-4-5-6-7-12-22-15-9-10-16-14(13-15)8-11-17-18(16)21-19(20)23-17;/h9-10,13H,2-8,11-12H2,1H3,(H2,20,21);1H


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